MolNFT v1 · #58694 · protein

Crystal structure of the P64488 protein from E.COLI (strain K12). northeast structural genomics consortium target ER596

3BB6 · Uncharacterized protein year: “Crystal structure of the P64488 protein from E.COLI (strain K12). northeast structural genomics consortium…”. X-ray diffraction, 1 ligand (ZN), 1 pocket (best druggability 0.80). MolNFT v1 #58694 on…

PDB: 3BB6
Type: protein
Length: 436 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Uncharacterized protein year
UniProt: P64488
Ligands: ZN
Pockets: 1 · best druggability 0.80

Structure

x-ray diffraction · 4 distinct chains · 5% helix, 44% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Uncharacterized protein year	protein	109	7% helix, 47% strand	P64488
B	Uncharacterized protein year	protein	111	7% helix, 43% strand	P64488
C	Uncharacterized protein year	protein	113	4% helix, 41% strand	P64488
D	Uncharacterized protein year	protein	103	3% helix, 45% strand	P64488

Ligands and binding sites

ZN · Zinc ion · metal · 4 copies · chains A, B, C, D

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	1183	0.80	0.81	127	ZN

Interfaces

4 interfaces between chains.

A–C · 1133 Å² buried · 15 hydrogen bonds · protein-protein
B–D · 1129 Å² buried · 18 hydrogen bonds · protein-protein
B–C · 963 Å² buried · 22 hydrogen bonds · protein-protein
A–D · 727 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 15 modified (engineered).

Compared structures

3BB6 · Crystal structure of the P64488 protein from E.coli (strain K12). Northeast Structural… · the same entry in another collection · chain D against D, TM-score 1.00
P64488 · AlphaFold monomer V2.0 prediction for uncharacterized protein year (P64488) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 P64488
Elsewhere: RCSB PDB 3BB6 · PDBe 3BB6 · UniProt P64488

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