MolNFT v1 · #71610 · protein

Structure of a-type ketoreductases from modular polyketide synthase

3MJC · Amphb: “Structure of a-type ketoreductases from modular polyketide synthase”. X-ray diffraction, 8 pockets (best druggability 0.76). MolNFT v1 #71610 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3MJC
Type: protein
Length: 940 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Amphb
EC: 1.1.1.100
UniProt: Q93NW7
Pockets: 8 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Amphb (EC 1.1.1.100)	protein	470	43% helix, 21% strand	Q93NW7

Ligands and binding sites

GOL · Glycerol · additive · chains B

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

Pockets

8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1095	0.76	0.78	124	empty
2	265	0.69	0.84	46	empty
3	556	0.67	0.77	55	empty
4	551	0.66	0.77	51	empty
5	131	0.61	0.85	30	empty

Interfaces

1 interface between chains.

A–B · 510 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

3MJC · Structure of A-type Ketoreductases from Modular Polyketide Synthase · 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 Q93NW7
Elsewhere: RCSB PDB 3MJC · PDBe 3MJC · UniProt Q93NW7

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