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High resolution crystal structure of liganded human L-acbp

Analyse High resolution crystal structure of liganded human L-acbp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2CB8
Type: protein
Length: 171 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acyl-CoA-binding protein
UniProt: P07108
Ligands: MYA, ZN, SO4
Pockets: 2 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 67% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Acyl-CoA-binding protein	protein	86	67% helix, 0% strand	P07108
B	Acyl-CoA-binding protein	protein	85	67% helix, 0% strand	P07108

Ligands and binding sites

MYA · Tetradecanoyl-coa · ligand · 4 copies · chains A, B
ZN · Zinc ion · metal · 8 copies · chains A, B
SO4 · Sulfate ion · ion
MXE · 2-methoxyethanol · additive · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	523	0.65	0.77	57	MYA
2	74	0.35	0.76	13	empty

Interfaces

1 interface between chains.

A–B · 434 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

2CB8 · High resolution crystal structure of liganded human L-ACBP · the same entry in another collection · chain A against A, TM-score 1.00
P07108 · AlphaFold monomer V2.0 prediction for acyl-CoA-binding protein (P07108) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 P07108
Elsewhere: RCSB PDB 2CB8 · PDBe 2CB8 · UniProt P07108

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