MolNFT v1 · #176430 · protein

Short chain dehydrogenase 2 (SCR2) crystal structure with NADP

7DMG · (S)-specific carbonyl reductase: “Short chain dehydrogenase 2 (SCR2) crystal structure with NADP”. X-ray diffraction, 1 ligand (NAP), 5 pockets (best druggability 0.71). MolNFT v1 #176430 on GenesisL1: 3D structure, binding sites…

PDB: 7DMG
Type: protein
Length: 552 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: (S)-specific carbonyl reductase
UniProt: D5G304
Ligands: NAP
Pockets: 5 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	(S)-specific carbonyl reductase	protein	276	45% helix, 13% strand	D5G304

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, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	501	0.71	0.80	49	NAP
2	486	0.64	0.77	52	NAP
3	236	0.58	0.79	25	empty
4	229	0.55	0.78	26	empty
5	183	0.50	0.77	29	empty

Interfaces

1 interface between chains.

A–B · 2750 Å² buried · 29 hydrogen bonds · protein-protein

Compared structures

7DMG · Short chain dehydrogenase 2 (SCR2) crystal structure with NADP · 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 D5G304
Elsewhere: RCSB PDB 7DMG · PDBe 7DMG · UniProt D5G304

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