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Crystal structure of mithramycin 3-side chain keto-reductase mtmw

Analyse Crystal structure of mithramycin 3-side chain keto-reductase mtmw in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6OVQ
Type: protein
Length: 586 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative side chain reductase
Pockets: 5 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative side chain reductase	protein	302	44% helix, 17% strand	—
B	Putative side chain reductase	protein	284	45% helix, 18% strand	—

Ligands and binding sites

GOL · Glycerol · additive · 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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	195	0.52	0.77	20	empty
2	183	0.51	0.77	36	empty
3	137	0.51	0.79	17	empty
4	209	0.48	0.76	32	empty
5	52	0.23	0.71	10	empty

Interfaces

1 interface between chains.

A–B · 235 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

6OVQ · Crystal structure of mithramycin 3-side chain keto-reductase MtmW · 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
Elsewhere: RCSB PDB 6OVQ · PDBe 6OVQ

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