MolNFT v1 · #59644 · protein

ABC protein artp in complex with AMP-PNP/MG2+

3C41 · Amino acid ABC transporter (artp): “ABC protein artp in complex with AMP-PNP/MG2+”. X-ray diffraction, 2 ligands (ANP, MG), 6 pockets (best druggability 0.77). MolNFT v1 #59644 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 3C41
Type: protein
Length: 484 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Amino acid ABC transporter (artp)
EC: 3.6.3.21
Ligands: ANP, MG
Pockets: 6 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
J, K	Amino acid ABC transporter (artp) (EC 3.6.3.21)	protein	242	40% helix, 24% strand	—

Ligands and binding sites

ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains J, K
MG · Magnesium ion · metal · 2 copies · chains J, K

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	745	0.77	0.81	57	empty
2	224	0.61	0.81	27	empty
3	128	0.41	0.75	21	MG, ANP
4	130	0.40	0.74	21	MG, ANP
5	84	0.39	0.77	20	empty

Interfaces

1 interface between chains.

J–K · 899 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

3C41 · ABC protein ArtP in complex with AMP-PNP/Mg2+ · the same entry in another collection · chain J against J, 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 3C41 · PDBe 3C41

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