MolNFT v1 · #147289 · protein

Crystal structure of the escherichia COLI sliding clamp-mutl complex.

6E8E · Beta sliding CLAMP,DNA mismatch repair protein mutl: “Crystal structure of the escherichia COLI sliding clamp-mutl complex.”. X-ray diffraction, 1 ligand (SO4), 9 pockets (best druggability 0.64). MolNFT v1 #147289 on GenesisL1: 3D…

PDB: 6E8E
Type: protein
Length: 923 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta sliding CLAMP,DNA mismatch repair protein mutl
UniProt: P0A988, A7ZV39
Ligands: SO4
Pockets: 9 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 28% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta sliding CLAMP,DNA mismatch repair protein mutl	protein	468	28% helix, 38% strand	P0A988, A7ZV39
B	Beta sliding CLAMP,DNA mismatch repair protein mutl	protein	455	27% helix, 41% strand	P0A988, A7ZV39

Ligands and binding sites

SO4 · Sulfate ion · ion · 5 copies · chains A, B
GOL · Glycerol · additive · 6 copies · chains A, B

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

Pockets

9 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	151	0.64	0.86	35	GOL, SO4
2	212	0.59	0.81	41	GOL, SO4
3	93	0.34	0.74	19	empty
4	68	0.31	0.74	16	empty
5	67	0.30	0.74	19	empty

Interfaces

1 interface between chains.

A–B · 1258 Å² buried · 33 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

6E8E · Crystal structure of the Escherichia coli sliding clamp-MutL complex. · 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 B against A, TM-score 0.79
A7ZV39 · AlphaFold monomer V2.0 prediction for DNA mismatch repair protein mutl (A7ZV39) · a predicted model of the same protein · chain B against A, TM-score 0.29

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
Every structure of UniProt A7ZV39
Elsewhere: RCSB PDB 6E8E · PDBe 6E8E · UniProt P0A988 · UniProt A7ZV39

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