MolNFT v1 · #22558 · protein

Crystal structure of E. COLI AMP nucleosidase

1T8R: “Crystal structure of E. COLI AMP nucleosidase”. X-ray diffraction, 20 pockets (best druggability 0.88). MolNFT v1 #22558 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1T8R
Type: protein
Length: 2,778 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: AMP nucleosidase
EC: 3.2.2.4
UniProt: P15272
Pockets: 20 · best druggability 0.88

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F	AMP nucleosidase (EC 3.2.2.4)	protein	463	41% helix, 21% strand	P15272

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	649	0.88	0.93	83	empty
2	537	0.85	0.91	62	empty
3	513	0.84	0.91	58	empty
4	652	0.80	0.84	91	empty
5	694	0.79	0.83	77	empty

Interfaces

9 interfaces between chains.

E–F · 2932 Å² buried · 29 hydrogen bonds · protein-protein
C–D · 2907 Å² buried · 28 hydrogen bonds · protein-protein
A–B · 2889 Å² buried · 30 hydrogen bonds · protein-protein
B–C · 2203 Å² buried · 28 hydrogen bonds · protein-protein
D–E · 2152 Å² buried · 25 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 modified (engineered).

Compared structures

1T8R · Crystal Structure of E. coli AMP Nucleosidase · 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 P15272
Elsewhere: RCSB PDB 1T8R · PDBe 1T8R · UniProt P15272

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