MolNFT v1 · #131994 · protein

Group deposition of library data - crystal structure of ecdsba after initial refinement with no ligand modelled (structure A2_3)

5QKG · THIOL:DISULFIDE interchange protein: “Group deposition of library data - crystal structure of ecdsba after initial refinement with no ligand…”. X-ray diffraction, 4 pockets (best druggability 0.56). MolNFT v1 #131994 on GenesisL1…

PDB: 5QKG
Type: protein
Length: 376 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: THIOL:DISULFIDE interchange protein
UniProt: A0A073FPA6
Pockets: 4 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	THIOL:DISULFIDE interchange protein	protein	188	53% helix, 11% strand	A0A073FPA6

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	195	0.56	0.80	31	empty
2	249	0.51	0.75	36	empty
3	125	0.41	0.75	18	empty
4	119	0.39	0.75	16	empty

Interfaces

1 interface between chains.

A–B · 826 Å² buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

5QKG · Group deposition of library data - Crystal Structure of EcDsbA after initial refinement… · the same entry in another collection · chain B against B, 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 A0A073FPA6
Elsewhere: RCSB PDB 5QKG · PDBe 5QKG · UniProt A0A073FPA6

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