Research workbench

E. COLI sliding clamp in complex with bromfenac

Analyse E. COLI sliding clamp in complex with bromfenac in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4MJQ
Type: protein
Length: 727 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DNA polymerase III subunit beta
EC: 2.7.7.7
UniProt: P0A988
Ligands: 27R, CA, CL
Pockets: 5 · best druggability 0.44

Structure

x-ray diffraction · 2 distinct chains · 22% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	DNA polymerase III subunit beta (EC 2.7.7.7)	protein	362	22% helix, 44% strand	P0A988
B	DNA polymerase III subunit beta (EC 2.7.7.7)	protein	365	22% helix, 45% strand	P0A988

Ligands and binding sites

27R · [2-amino-3-(4-bromobenzoyl)phenyl]acetic acid · ligand · chains A
CA · Calcium ion · metal · 3 copies · chains A, B
CL · Chloride ion · ion · 2 copies · chains A, B
PGE · Triethylene glycol · additive · 2 copies · chains A, B
EDO · 1,2-ethanediol · additive · chains A
PG4 · Tetraethylene glycol · additive · chains A, B

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

Pockets

5 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	70	0.44	0.82	20	CA
2	148	0.41	0.74	32	empty
3	50	0.31	0.76	15	27R
4	70	0.30	0.74	16	empty
5	54	0.26	0.73	17	empty

Interfaces

1 interface between chains.

A–B · 1257 Å² buried · 28 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

4MJQ · E. coli sliding clamp in complex with Bromfenac · the same entry in another collection · chain A against A, TM-score 1.00
P0A988 · AlphaFold monomer V2.0 prediction for beta sliding clamp (P0A988) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P0A988
Elsewhere: RCSB PDB 4MJQ · PDBe 4MJQ · UniProt P0A988

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