MolNFT v1 · #18625 · protein

Native form 2 E.COLI chaperone HSP31

1PV2 · Chaperone protein hcha: “Native form 2 E.COLI chaperone HSP31”. X-ray diffraction, 20 pockets (best druggability 0.73). MolNFT v1 #18625 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1PV2
Type: protein
Length: 2,079 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chaperone protein hcha
UniProt: P31658
Pockets: 20 · best druggability 0.73

Structure

x-ray diffraction · 8 distinct chains · 36% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Chaperone protein hcha	protein	241	34% helix, 15% strand	P31658
B	Chaperone protein hcha	protein	257	38% helix, 18% strand	P31658
C	Chaperone protein hcha	protein	249	36% helix, 19% strand	P31658
D	Chaperone protein hcha	protein	264	36% helix, 18% strand	P31658
E	Chaperone protein hcha	protein	270	37% helix, 18% strand	P31658
F	Chaperone protein hcha	protein	261	34% helix, 18% strand	P31658
G	Chaperone protein hcha	protein	260	37% helix, 19% strand	P31658
H	Chaperone protein hcha	protein	277	36% helix, 18% strand	P31658

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	968	0.73	0.76	92	empty
2	418	0.62	0.76	65	empty
3	392	0.61	0.77	41	empty
4	106	0.61	0.87	21	empty
5	408	0.60	0.76	41	empty

Interfaces

8 interfaces between chains.

G–H · 1043 Å² buried · 17 hydrogen bonds · protein-protein
A–B · 1038 Å² buried · 16 hydrogen bonds · protein-protein
C–D · 1020 Å² buried · 17 hydrogen bonds · protein-protein
E–F · 999 Å² buried · 20 hydrogen bonds · protein-protein
A–D · 344 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

1PV2 · Native Form 2 E.coli Chaperone Hsp31 · the same entry in another collection · chain H against H, TM-score 1.00
P31658 · AlphaFold monomer V2.0 prediction for PROTEIN/NUCLEIC acid deglycase 1 (P31658) · a predicted model of the same protein · chain D against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P31658
Elsewhere: RCSB PDB 1PV2 · PDBe 1PV2 · UniProt P31658

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