MolNFT v1 · #132120 · protein

Group deposition of apo datasets for pandda analysis - crystal structure of apo ecdsba after initial refinement (APO_DATASET_24)

5QNY · THIOL:DISULFIDE interchange protein: “Group deposition of apo datasets for pandda analysis - crystal structure of apo ecdsba after initial…”. X-ray diffraction, 4 pockets (best druggability 0.57). MolNFT v1 #132120 on GenesisL1: 3D…

PDB: 5QNY
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 0.57

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	297	0.57	0.76	37	empty
2	179	0.55	0.79	32	empty
3	123	0.45	0.77	22	empty
4	130	0.40	0.75	14	empty

Interfaces

1 interface between chains.

A–B · 773 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

5QNY · Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA… · the same entry in another collection · chain A 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 A0A073FPA6
Elsewhere: RCSB PDB 5QNY · PDBe 5QNY · UniProt A0A073FPA6

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