D-I-TASSER Q9BT40

D-I-TASSER results for Q9BT40

[Click result.zip to download all results on this page]

Summary of the Protein

Uniprot ID: Q9BT40
Protein Name: Inositol polyphosphate 5-phosphatase K
Gene Name: INPP5K

Input Sequence in FASTA format

>Q9BT40 (448 residues)
MSSRKLSGPKGRRLSIHVVTWNVASAAPPLDLSDLLQLNNRNLNLDIYVIGLQELNSGII
SLLSDAAFNDSWSSFLMDVLSPLSFIKVSHVRMQGILLLVFAKYQHLPYIQILSTKSTPT
GLFGYWGNKGGVNICLKLYGYYVSIINCHLPPHISNNYQRLEHFDRILEMQNCEGRDIPN
ILDHDLIIWFGDMNFRIEDFGLHFVRESIKNRCYGGLWEKDQLSIAKKHDPLLREFQEGR
LLFPPTYKFDRNSNDYDTSEKKRKPAWTDRILWRLKRQPCAGPDTPIPPASHFSLSLRGY
SSHMTYGISDHKPVSGTFDLELKPLVSAPLIVLMPEDLWTVENDMMVSYSSTSDFPSSPW
DWIGLYKVGLRDVNDYVSYAWVGDSKVSCSDNLNQVYIDISNIPTTEDEFLLCYYSNSLR
SVVGISRPFQIPPGSLREDPLGEAQPQI

Predicted Contact and Distance Map Used in D-I-TASSER simulation

Contact Map

Distance Map

D-I-TASSER simulation is guided by the consensus contact map (left figure) and distance map (right figure) derived based on confidence scores of DeepPotential. In the contact, distance map and hydrogen bond networks, the axes mark the residue index along the sequence. For the contact map, each dot represents a residue pair with predicted contact, while for the distance map and hydrogen bond network, a color scale represents a distance of 1-20+ angstroms or a angle of 0-180 degree.

Information of Domain

No. of Domain	Domain	Domain Boundary	Length of Domain	Models of Domain	Sequence
1	Q9BT40-D1	1-325	325		MSSRKLSGPKGRRLSIHVVTWNVASAAPPLDLSDLLQLNNRNLNLDIYVIGLQELNSGIISLLSDAAFNDSWSSFLMDVLSPLSFIKVSHVRMQGILLLVFAKYQHLPYIQILSTKSTPTGLFGYWGNKGGVNICLKLYGYYVSIINCHLPPHISNNYQRLEHFDRILEMQNCEGRDIPNILDHDLIIWFGDMNFRIEDFGLHFVRESIKNRCYGGLWEKDQLSIAKKHDPLLREFQEGRLLFPPTYKFDRNSNDYDTSEKKRKPAWTDRILWRLKRQPCAGPDTPIPPASHFSLSLRGYSSHMTYGISDHKPVSGTFDLELKPL
2	Q9BT40-D2	326-448	123		VSAPLIVLMPEDLWTVENDMMVSYSSTSDFPSSPWDWIGLYKVGLRDVNDYVSYAWVGDSKVSCSDNLNQVYIDISNIPTTEDEFLLCYYSNSLRSVVGISRPFQIPPGSLREDPLGEAQPQI

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.79

(a)

D-I-TASSER simulations generate a large ensemble of structural conformations, i.e. decoys. These decoys are clustered by SPICKER based on pairwise structure similarity to report up to five final models from the five largest clusters. Models are ranked in descending order of cluster size. If the simulations converge well, it is possible to have less than 5 models generated, which is usually an indication of good model quality.

(b)

The model confidence is quantitatified by estimated TM-score (eTM-score), calculated based on significance of threading template alignments, contact map satisfaction rate, mean absolute error between distance of model and distance of DeepPotential, and convergence of D-I-TASSER simulations. eTM-score is typically in the range of [0, 1], with higher eTM-score signifies higher model confidence.

Proteins with similar structure

Top 10 structural analogs in PDB (as identified by TM-align)

Rank	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	Download Alignment
1	4cmnA	0.66	2.03	0.294	0.694	model1_4cmnA.pdb.gz
2	7a0vA	0.65	2.29	0.293	0.692	model1_7a0vA.pdb.gz
3	3mtcA	0.65	1.71	0.319	0.672	model1_3mtcA.pdb.gz
4	2xswA	0.62	3.01	0.239	0.679	model1_2xswA.pdb.gz
5	1i9yA	0.62	2.40	0.267	0.661	model1_1i9yA.pdb.gz
6	6ibdA	0.61	2.65	0.190	0.656	model1_6ibdA.pdb.gz
7	5okmA	0.60	2.59	0.188	0.647	model1_5okmA.pdb.gz
8	3nr8B	0.59	2.24	0.267	0.627	model1_3nr8B.pdb.gz
9	1yjhA	0.55	2.88	0.239	0.612	model1_1yjhA.pdb.gz
10	3wo4C	0.28	6.38	0.077	0.431	model1_3wo4C.pdb.gz

(a)	Query structure is shown in cartoon, while the structural analog is displayed using backbone trace.
(b)	Ranking of proteins is based on TM-score of the structural alignment between the query structure and known structures in the PDB library.
(c)	RMSD^a is the RMSD between residues that are structurally aligned by TM-align.
(d)	IDEN^a is the percentage sequence identity in the structurally aligned region.
(e)	Cov. represents the coverage of the alignment by TM-align and is equal to the number of structurally aligned residues divided by length of the query protein.

Predicted Gene Ontology (GO) Terms

Molecular Function (MF)

GO term	Cscore^GO	Name
GO:0003824	0.99	catalytic activity
GO:0016791	0.97	phosphatase activity
GO:0052866	0.82	phosphatidylinositol phosphate phosphatase activity
GO:0034595	0.78	phosphatidylinositol phosphate 5-phosphatase activity
GO:0052745	0.75	inositol phosphate phosphatase activity
GO:0034594	0.55	phosphatidylinositol trisphosphate phosphatase activity
GO:0034485	0.53	phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase activity

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Molecular Function. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Biological Process (BP)

GO term	Cscore^GO	Name
GO:0044699	0.93	single-organism process
GO:0009987	0.92	cellular process
GO:0044763	0.87	single-organism cellular process
GO:0008152	0.84	metabolic process
GO:0044237	0.80	cellular metabolic process
GO:0044710	0.79	single-organism metabolic process
GO:0065007	0.78	biological regulation
GO:0006796	0.78	phosphate-containing compound metabolic process
GO:0050789	0.76	regulation of biological process
GO:0071704	0.75	organic substance metabolic process
GO:0050794	0.75	regulation of cellular process
GO:0044238	0.73	primary metabolic process
GO:0019637	0.72	organophosphate metabolic process
GO:0006650	0.70	glycerophospholipid metabolic process
GO:0046488	0.69	phosphatidylinositol metabolic process
GO:0016311	0.68	dephosphorylation
GO:0030258	0.61	lipid modification
GO:0016043	0.61	cellular component organization
GO:0046856	0.60	phosphatidylinositol dephosphorylation
GO:0051234	0.58	establishment of localization
GO:0006810	0.57	transport
GO:0007165	0.55	signal transduction
GO:0032501	0.54	multicellular organismal process
GO:0051649	0.53	establishment of localization in cell
GO:0050896	0.53	response to stimulus
GO:0051641	0.50	cellular localization
GO:0044765	0.50	single-organism transport

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Biological Process. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Cellular Component (CC)

GO term	Cscore^GO	Name
GO:0044464	1.00	cell part
GO:0044424	0.98	intracellular part
GO:0044444	0.90	cytoplasmic part
GO:0016020	0.81	membrane
GO:0005829	0.75	cytosol
GO:0005737	0.71	cytoplasm
GO:0044422	0.70	organelle part
GO:0044446	0.67	intracellular organelle part
GO:0043226	0.64	organelle
GO:0097458	0.63	neuron part
GO:0005886	0.63	plasma membrane
GO:0043229	0.62	intracellular organelle
GO:0043227	0.61	membrane-bounded organelle
GO:0043231	0.60	intracellular membrane-bounded organelle
GO:0044463	0.59	cell projection part
GO:0042995	0.58	cell projection
GO:0044425	0.56	membrane part
GO:0001726	0.50	ruffle

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Cellular Component. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Predicted Enzyme Commission (EC) Numbers

Top 5 enzyme homologs in PDB

Rank	Cscore^EC	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	EC Number	Predicted Active Site Residues
1	0.261	3mtcA	0.645	1.71	0.319	0.672	3.1.3.36	98,129,165
2	0.066	2ddtA	0.466	3.31	0.179	0.536	3.1.4.12	129,194,310
3	0.060	1kmmC	0.359	6.61	0.060	0.565	6.1.1.21	NA
4	0.060	1zwxA	0.453	4.12	0.056	0.556	3.1.4.12	194
5	0.060	3hkzJ	0.368	7.17	0.055	0.614	2.7.7.6	NA

	Click on the radio buttons to visualize predicted active site residues.
(a)	Cscore^EC is the confidence score for the Enzyme Commission (EC) number prediction. Cscore^EC values range in between [0-1]; where a higher score indicates a more reliable EC number prediction.
(b)	TM-score is a measure of global structural similarity between query and template protein.
(c)	RMSD^a is the RMSD between residues that are structurally aligned by TM-align.
(d)	IDEN^a is the percentage sequence identity in the structurally aligned region.
(e)	Cov. represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein.

Predicted Ligand Binding Sites

Template proteins with similar binding site:

Rank	Cscore^LB	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	BS-score	Lig. Name	Download Complex	Predicted binding site residues
1	0.16	3mtcA	0.645	1.71	0.319	0.672	1.13	PIF	complex1.pdb.gz	54,57,59,128,129,149,153,247,248,261,263
2	0.04	3g38A	0.430	4.14	0.132	0.522	0.83	QNA	complex2.pdb.gz	22,54,95,148,151,192,194,311
3	0.02	3ngnA	0.458	3.48	0.117	0.529	0.51	AMP	complex3.pdb.gz	52,147,150,152,164,191,193
4	0.02	3g4tA	0.425	4.15	0.129	0.516	0.51	MG	complex4.pdb.gz	20,22,269,270
5	0.01	2dnjA	0.426	3.53	0.085	0.500	0.60	QNA	complex5.pdb.gz	22,52,94,95,97,131

	Click on the radio buttons to visualize predicted binding site and residues.
(a)	Cscore^LB is the confidence score of predicted binding site. Cscore^LB values range in between [0-1]; where a higher score indicates a more reliable ligand-binding site prediction.
(b)	BS-score is a measure of local similarity (sequence & structure) between template binding site and predicted binding site in the query structure. Based on large scale benchmarking analysis, we have observed that a BS-score >1 reflects a significant local match between the predicted and template binding site.
(c)	TM-score is a measure of global structural similarity between query and template protein.
(d)	RMSD^a the RMSD between residues that are structurally aligned by TM-align.
(e)	IDEN^a is the percentage sequence identity in the structurally aligned region.
(f)	Cov. represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein.

[Click result.zip to download all results on this page]

References:
1.	Wei Zheng, Qiqige Wuyun, Yang Li, Quancheng Liu, Xiaogen Zhou, Yiheng Zhu, P. Lydia Freddolino, Yang Zhang. Integrating deep learning potentials with I-TASSER for single- and multi-domain protein structure prediction. Submitted. 2023.