MolNFT v1 · #94730 · protein

Crystal structure of ralstonia sp. alcohol dehydrogenase mutant N15G, G37D, R38V, R39S

4I5F · Alclohol DEHYDROGENASE/SHORT-chain dehydrogenase: “Crystal structure of ralstonia sp. alcohol dehydrogenase mutant N15G, G37D, R38V, R39S”. X-ray diffraction, 14 pockets (best druggability 0.84). MolNFT v1 #94730 on GenesisL1: 3D…

PDB: 4I5F
Type: protein
Length: 1,864 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alclohol DEHYDROGENASE/SHORT-chain dehydrogenase
UniProt: C0IR58
Pockets: 14 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H	Alclohol DEHYDROGENASE/SHORT-chain dehydrogenase	protein	233	48% helix, 20% strand	C0IR58

Pockets

14 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1091	0.84	0.85	85	empty
2	1118	0.84	0.85	83	empty
3	331	0.60	0.77	37	empty
4	488	0.60	0.75	73	empty
5	336	0.59	0.77	35	empty

Interfaces

13 interfaces between chains.

E–F · 1600 Å² buried · 31 hydrogen bonds · protein-protein
A–C · 1599 Å² buried · 29 hydrogen bonds · protein-protein
G–H · 1595 Å² buried · 32 hydrogen bonds · protein-protein
B–D · 1591 Å² buried · 30 hydrogen bonds · protein-protein
C–D · 1545 Å² buried · 26 hydrogen bonds · protein-protein

Compared structures

4I5F · Crystal structure of Ralstonia sp. alcohol dehydrogenase mutant N15G, G37D, R38V, R39S · 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 C0IR58
Elsewhere: RCSB PDB 4I5F · PDBe 4I5F · UniProt C0IR58

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