Research workbench

E. COLI sliding clamp in complex with acqldaf

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

PDB: 4K3Q
Type: protein
Length: 721 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DNA polymerase III subunit beta; (ACE)QLDAF
EC: 2.7.7.7
UniProt: P0A988
Ligands: ACE, CA
Pockets: 4 · best druggability 0.30

Structure

x-ray diffraction · 3 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	358	23% helix, 44% strand	P0A988
B	DNA polymerase III subunit beta (EC 2.7.7.7)	protein	358	22% helix, 47% strand	P0A988
E	(ACE)QLDAF	protein	5	0% helix, 0% strand	—

Ligands and binding sites

ACE · Acetyl group · ligand · chains A, E
CA · Calcium ion · metal · 7 copies · chains A, B
PEG · Di(hydroxyethyl)ether · additive · 6 copies · chains A, B
PGE · Triethylene glycol · additive · 3 copies · chains A, B
PG4 · Tetraethylene glycol · additive · chains 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	60	0.30	0.75	18	empty
2	63	0.30	0.74	19	empty
3	52	0.28	0.75	15	empty
4	54	0.27	0.74	14	empty

Interfaces

2 interfaces between chains.

A–B · 1346 Å² buried · 30 hydrogen bonds · protein-protein
A–E · 438 Å² buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

4K3Q · E. coli sliding clamp in complex with AcQLDAF · 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 0.98

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 4K3Q · PDBe 4K3Q · UniProt P0A988

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