MolNFT v1 · #139075 · protein

Structure of a cbio dimer bound with amppcp

5X40 · Cobalt ABC transporter ATP-binding protein: “Structure of a cbio dimer bound with amppcp”. X-ray diffraction, 2 ligands (ACP, MG), 5 pockets (best druggability 0.81). MolNFT v1 #139075 on GenesisL1: 3D structure, binding sites and…

PDB: 5X40
Type: protein
Length: 560 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cobalt ABC transporter ATP-binding protein
Ligands: ACP, MG
Pockets: 5 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Cobalt ABC transporter ATP-binding protein	protein	280	41% helix, 23% strand	—

Ligands and binding sites

ACP · Phosphomethylphosphonic acid adenylate ester · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	914	0.81	0.83	67	empty
2	767	0.77	0.81	98	MG, ACP
3	241	0.58	0.79	25	empty
4	204	0.56	0.79	26	empty
5	79	0.30	0.72	21	empty

Interfaces

1 interface between chains.

A–B · 2229 Å² buried · 38 hydrogen bonds · protein-protein

Compared structures

5X40 · Structure of a CbiO dimer bound with AMPPCP · 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
Elsewhere: RCSB PDB 5X40 · PDBe 5X40

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.