MolNFT v1 · #114327 · protein

2.1 ångström structure of actvi-orfa from streptomyces coelicolor

5BKA · Hydroxylacyl-CoA dehydrogenase: “2.1 ångström structure of actvi-orfa from streptomyces coelicolor”. X-ray diffraction, 11 pockets (best druggability 0.83). MolNFT v1 #114327 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 5BKA
Type: protein
Length: 772 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hydroxylacyl-CoA dehydrogenase
UniProt: Q7AKI2
Pockets: 11 · best druggability 0.83

Structure

x-ray diffraction · 6 distinct chains · 28% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hydroxylacyl-CoA dehydrogenase	protein	115	29% helix, 42% strand	Q7AKI2
B	Hydroxylacyl-CoA dehydrogenase	protein	131	28% helix, 45% strand	Q7AKI2
C	Hydroxylacyl-CoA dehydrogenase	protein	126	26% helix, 47% strand	Q7AKI2
D	Hydroxylacyl-CoA dehydrogenase	protein	130	30% helix, 46% strand	Q7AKI2
E	Hydroxylacyl-CoA dehydrogenase	protein	136	29% helix, 45% strand	Q7AKI2
F	Hydroxylacyl-CoA dehydrogenase	protein	134	26% helix, 46% strand	Q7AKI2

Pockets

11 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	169	0.83	0.98	23	empty
2	168	0.83	0.98	24	empty
3	224	0.74	0.89	35	empty
4	344	0.72	0.84	36	empty
5	149	0.71	0.90	23	empty

Interfaces

8 interfaces between chains.

A–C · 1155 Å² buried · 13 hydrogen bonds · protein-protein
D–F · 1104 Å² buried · 14 hydrogen bonds · protein-protein
D–E · 1102 Å² buried · 15 hydrogen bonds · protein-protein
E–F · 1012 Å² buried · 13 hydrogen bonds · protein-protein
B–C · 973 Å² buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

5BKA · 2.1 Angstrom structure of ActVI-ORFA from Streptomyces Coelicolor · 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 Q7AKI2
Elsewhere: RCSB PDB 5BKA · PDBe 5BKA · UniProt Q7AKI2

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