MolNFT v1 · #103134 · protein

Crystal structure of human MLH1

4P7A · DNA mismatch repair protein MLH1: “Crystal structure of human MLH1”. X-ray diffraction, 3 ligands (ADP, MG, UNX), 3 pockets (best druggability 0.67). MolNFT v1 #103134 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4P7A
Type: protein
Length: 303 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DNA mismatch repair protein MLH1
UniProt: P40692
Ligands: ADP, MG, UNX
Pockets: 3 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	DNA mismatch repair protein MLH1	protein	303	34% helix, 27% strand	P40692

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · chains A
MG · Magnesium ion · metal · chains A
UNX · Unknown atom or ion · ion · 9 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	361	0.67	0.81	40	MG, ADP, UNX
2	81	0.42	0.79	19	empty
3	72	0.29	0.73	16	empty

Compared structures

4P7A · Crystal Structure of human MLH1 · the same entry in another collection · chain A against A, TM-score 1.00
P40692 · AlphaFold monomer V2.0 prediction for DNA mismatch repair protein MLH1 (P40692) · 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 P40692
Elsewhere: RCSB PDB 4P7A · PDBe 4P7A · UniProt P40692

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