MolNFT v1 · #75621 · protein

Structure and biochemical activities of escherichia COLI mgsa

3PVS · Replication-associated recombination protein a: “Structure and biochemical activities of escherichia COLI mgsa”. X-ray diffraction, 1 ligand (PO4), 20 pockets (best druggability 0.73). MolNFT v1 #75621 on GenesisL1: 3D structure…

PDB: 3PVS
Type: protein
Length: 1,675 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Replication-associated recombination protein a
UniProt: C5W2B1
Ligands: PO4
Pockets: 20 · best druggability 0.73

Structure

x-ray diffraction · 4 distinct chains · 54% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Replication-associated recombination protein a	protein	414	54% helix, 8% strand	C5W2B1
B	Replication-associated recombination protein a	protein	417	53% helix, 7% strand	C5W2B1
C	Replication-associated recombination protein a	protein	420	55% helix, 7% strand	C5W2B1
D	Replication-associated recombination protein a	protein	424	55% helix, 7% strand	C5W2B1

Ligands and binding sites

PO4 · Phosphate ion · ion · 4 copies · chains A, B, C, D

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

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1084	0.73	0.76	116	empty
2	165	0.71	0.90	20	empty
3	149	0.71	0.90	25	PO4
4	684	0.69	0.77	72	empty
5	175	0.68	0.87	32	PO4

Interfaces

6 interfaces between chains.

B–C · 3262 Å² buried · 46 hydrogen bonds · protein-protein
A–C · 3230 Å² buried · 40 hydrogen bonds · protein-protein
B–D · 3201 Å² buried · 43 hydrogen bonds · protein-protein
A–D · 3136 Å² buried · 41 hydrogen bonds · protein-protein
A–B · 255 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

3PVS · Structure and biochemical activities of Escherichia coli MgsA · 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 C5W2B1
Elsewhere: RCSB PDB 3PVS · PDBe 3PVS · UniProt C5W2B1

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