MolNFT v1 · #167018 · protein

Human CTBP1 (28-375) in complex with AMP

6V8A · C-terminal-binding protein 1: “Human CTBP1 (28-375) in complex with AMP”. X-ray diffraction, 3 ligands (AMP, CA, CL), 2 pockets (best druggability 0.70). MolNFT v1 #167018 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6V8A
Type: protein
Length: 332 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: C-terminal-binding protein 1
EC: 1.1.1.-
UniProt: Q13363
Ligands: AMP, CA, CL
Pockets: 2 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	C-terminal-binding protein 1 (EC 1.1.1.-)	protein	332	35% helix, 17% strand	Q13363

Ligands and binding sites

AMP · Adenosine monophosphate · ligand · chains A
CA · Calcium ion · metal · chains A
CL · Chloride ion · ion · 3 copies · chains A

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	424	0.70	0.81	51	AMP, CL
2	74	0.33	0.75	17	empty

Compared structures

6V8A · Human CtBP1 (28-375) in complex with AMP · the same entry in another collection · chain A against A, TM-score 1.00
Q13363 · AlphaFold monomer V2.0 prediction for C-terminal-binding protein 1 (Q13363) · a predicted model of the same protein · 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 Q13363
Elsewhere: RCSB PDB 6V8A · PDBe 6V8A · UniProt Q13363

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