MolNFT v1 · #15456 · protein

Crystal structure of the yersinia enterocolitica molecular chaperone syce

1N5B · Yope regulator: “Crystal structure of the yersinia enterocolitica molecular chaperone syce”. X-ray diffraction, 3 pockets (best druggability 0.77). MolNFT v1 #15456 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1N5B
Type: protein
Length: 497 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Yope regulator
UniProt: P31490
Pockets: 3 · best druggability 0.77

Structure

x-ray diffraction · 3 distinct chains · 27% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	Yope regulator	protein	128	25% helix, 26% strand	P31490
B	Yope regulator	protein	121	26% helix, 26% strand	P31490
C	Yope regulator	protein	120	29% helix, 28% strand	P31490

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1117	0.77	0.79	79	empty
2	160	0.70	0.89	29	empty
3	169	0.67	0.87	35	empty

Interfaces

6 interfaces between chains.

C–D · 1466 Å² buried · 11 hydrogen bonds · protein-protein
A–B · 1407 Å² buried · 10 hydrogen bonds · protein-protein
A–C · 214 Å² buried · 2 hydrogen bonds · protein-protein
B–C · 158 Å² buried · 0 hydrogen bonds · protein-protein
A–D · 138 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

1N5B · Crystal Structure Of The Yersinia enterocolitica Molecular Chaperone Syce · the same entry in another collection · chain A against A, TM-score 1.00
P31490 · AlphaFold monomer V2.0 prediction for yope regulator (P31490) · a predicted model of the same protein · chain C against A, TM-score 0.96

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 P31490
Elsewhere: RCSB PDB 1N5B · PDBe 1N5B · UniProt P31490

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