MolNFT v1 · #80505 · protein

Crystal structure of the F177S mutant of mycrocine immunity protein (mccf) with AMP

3TYX · Microcin immunity protein mccf: “Crystal structure of the F177S mutant of mycrocine immunity protein (mccf) with AMP”. X-ray diffraction, 1 ligand (AMP), 4 pockets (best druggability 0.60). MolNFT v1 #80505 on GenesisL1: 3D…

PDB: 3TYX
Type: protein
Length: 667 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Microcin immunity protein mccf
UniProt: Q81RT8
Ligands: AMP
Pockets: 4 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Microcin immunity protein mccf	protein	335	30% helix, 22% strand	Q81RT8
B	Microcin immunity protein mccf	protein	332	31% helix, 23% strand	Q81RT8

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

4 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	349	0.60	0.77	48	AMP
2	226	0.51	0.76	35	AMP
3	102	0.41	0.76	18	empty
4	60	0.34	0.77	20	empty

Interfaces

1 interface between chains.

A–B · 1806 Å² buried · 45 hydrogen bonds · protein-protein

Compared structures

3TYX · Crystal structure of the F177S mutant of mycrocine immunity protein (MccF) with AMP · 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 Q81RT8
Elsewhere: RCSB PDB 3TYX · PDBe 3TYX · UniProt Q81RT8

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