MolNFT v1 · #174627 · protein

Crystal structure of kluyveromyces polyspora adh (kpadh) mutant (Y127W)

7C1E · Epimerase domain-containing protein: “Crystal structure of kluyveromyces polyspora adh (kpadh) mutant (Y127W)”. X-ray diffraction, 1 ligand (NAP), 3 pockets (best druggability 0.74). MolNFT v1 #174627 on GenesisL1: 3D structure…

PDB: 7C1E
Type: protein
Length: 684 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Epimerase domain-containing protein
UniProt: A7TM80
Ligands: NAP
Pockets: 3 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Epimerase domain-containing protein	protein	342	44% helix, 15% strand	A7TM80

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

3 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	478	0.74	0.83	51	NAP
2	484	0.74	0.82	56	NAP
3	116	0.40	0.75	19	empty

Interfaces

1 interface between chains.

A–B · 195 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

7C1E · Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (Y127W) · 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 A7TM80
Elsewhere: RCSB PDB 7C1E · PDBe 7C1E · UniProt A7TM80

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