MolNFT v1 · #86490 · protein

Crystal structure of human DNA cross-link repair 1A

4B87 · DNA cross-link repair 1A protein: “Crystal structure of human DNA cross-link repair 1A”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.67). MolNFT v1 #86490 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4B87
Type: protein
Length: 335 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DNA cross-link repair 1A protein
UniProt: Q6PJP8
Ligands: ZN
Pockets: 3 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	DNA cross-link repair 1A protein	protein	335	34% helix, 22% strand	Q6PJP8

Ligands and binding sites

ZN · Zinc ion · metal · chains A
EDO · 1,2-ethanediol · additive · 4 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	52	0.67	0.96	17	EDO
2	324	0.58	0.76	50	empty
3	80	0.35	0.76	19	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

4B87 · Crystal structure of human DNA cross-link repair 1A · the same entry in another collection · chain A against A, TM-score 1.00
Q6PJP8 · AlphaFold monomer V2.0 prediction for DNA cross-link repair 1A protein (Q6PJP8) · 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 Q6PJP8
Elsewhere: RCSB PDB 4B87 · PDBe 4B87 · UniProt Q6PJP8

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