MolNFT v1 · #118566 · protein

Crystal structure of S116A BA3275 with AMP bound

5F5X · Mccc family protein BA3275: “Crystal structure of S116A BA3275 with AMP bound”. X-ray diffraction, 1 ligand (AMP), 7 pockets (best druggability 0.71). MolNFT v1 #118566 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5F5X
Type: protein
Length: 688 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mccc family protein BA3275
UniProt: Q734X3
Ligands: AMP
Pockets: 7 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Mccc family protein BA3275	protein	344	35% helix, 21% strand	Q734X3

Ligands and binding sites

AMP · Adenosine monophosphate · ligand · 2 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	306	0.71	0.84	40	AMP
2	360	0.71	0.83	46	AMP
3	59	0.52	0.87	24	empty
4	52	0.49	0.87	22	empty
5	200	0.48	0.75	25	empty

Interfaces

1 interface between chains.

A–B · 1223 Å² buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 22 modified (engineered).

Compared structures

5F5X · Crystal structure of S116A Ba3275 with AMP bound · 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 Q734X3
Elsewhere: RCSB PDB 5F5X · PDBe 5F5X · UniProt Q734X3

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