MolNFT v1 · #32772 · protein

Structure of the MGC45594 gene product

2C0C · Zinc binding alcohol dehydrogenase, domain containing 2: “Structure of the MGC45594 gene product”. X-ray diffraction, 1 ligand (NAP), 5 pockets (best druggability 0.81). MolNFT v1 #32772 on GenesisL1: 3D structure, binding sites and…

PDB: 2C0C
Type: protein
Length: 695 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Zinc binding alcohol dehydrogenase, domain containing 2
UniProt: Q8N4Q0
Ligands: NAP
Pockets: 5 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Zinc binding alcohol dehydrogenase, domain containing 2	protein	353	33% helix, 26% strand	Q8N4Q0
B	Zinc binding alcohol dehydrogenase, domain containing 2	protein	342	32% helix, 27% strand	Q8N4Q0

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 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	638	0.81	0.86	59	NAP
2	613	0.81	0.86	63	NAP
3	133	0.42	0.76	31	empty
4	56	0.31	0.76	12	empty
5	52	0.28	0.74	11	empty

Interfaces

1 interface between chains.

A–B · 1266 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

2C0C · Structure of the MGC45594 gene product · the same entry in another collection · chain A against A, TM-score 1.00
Q8N4Q0 · AlphaFold monomer V2.0 prediction for prostaglandin reductase 3 (Q8N4Q0) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 Q8N4Q0
Elsewhere: RCSB PDB 2C0C · PDBe 2C0C · UniProt Q8N4Q0

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