MolNFT v1 · #27542 · protein

E. COLI reca in complex with mnamp-pnp

1XMS · Reca protein: “E. COLI reca in complex with mnamp-pnp”. X-ray diffraction, 2 ligands (ANP, MN), 4 pockets (best druggability 0.48). MolNFT v1 #27542 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1XMS
Type: protein
Length: 300 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Reca protein
UniProt: P0A7G6
Ligands: ANP, MN
Pockets: 4 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Reca protein	protein	300	42% helix, 25% strand	P0A7G6

Ligands and binding sites

ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
MN · Manganese (II) ion · metal · chains A

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

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	186	0.48	0.76	28	MN, ANP
2	151	0.41	0.74	24	empty
3	79	0.33	0.74	19	empty
4	56	0.28	0.74	15	empty

Compared structures

1XMS · E. coli RecA in complex with MnAMP-PNP · the same entry in another collection · chain A against A, TM-score 1.00
P0A7G6 · AlphaFold monomer V2.0 prediction for protein reca (P0A7G6) · a predicted model of the same protein · chain A against A, TM-score 0.88

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 P0A7G6
Elsewhere: RCSB PDB 1XMS · PDBe 1XMS · UniProt P0A7G6

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