MolNFT v1 · #86605 · protein

X-ray structure of zinc bound znua in complex with RDS51

4BBP · Zinc ABC transporter, periplasmic zinc-binding protein: “X-ray structure of zinc bound znua in complex with RDS51”. X-ray diffraction, 3 ligands (YU7, ZN, SO4), 1 pocket (best druggability 0.61). MolNFT v1 #86605 on GenesisL1: 3D…

PDB: 4BBP
Type: protein
Length: 266 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Zinc ABC transporter, periplasmic zinc-binding protein
UniProt: B5N507
Ligands: YU7, ZN, SO4
Pockets: 1 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Zinc ABC transporter, periplasmic zinc-binding protein	protein	266	52% helix, 10% strand	B5N507

Ligands and binding sites

YU7 · 1-[(2-chlorophenyl)methyl]-N-hydroxy-4-phenyl-1H-pyrrole-3-carboxamide · ligand · chains A
ZN · Zinc ion · metal · chains A
SO4 · Sulfate ion · ion · 3 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	293	0.61	0.79	36	YU7

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

4BBP · X-ray structure of zinc bound ZnuA in complex with RDS51 · 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 B5N507
Elsewhere: RCSB PDB 4BBP · PDBe 4BBP · UniProt B5N507

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