MolNFT v1 · #42610 · protein + DNA

Solution structure of the thap zinc finger of THAP1 in complex with its DNA target

2KO0 · Thap domain-containing protein 1: “Solution structure of the thap zinc finger of THAP1 in complex with its DNA target”. Solution nmr, 1 ligand (ZN). MolNFT v1 #42610 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2KO0
Type: protein + DNA
Length: 119 residues
Chains: 3
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thap domain-containing protein 1; RRM1; Zinc ion
UniProt: Q9NVV9
Ligands: ZN

Structure

solution nmr · 3 distinct chains · 18% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Thap domain-containing protein 1	protein	87	18% helix, 7% strand	Q9NVV9
B	RRM1	dna	16	—	—
C	Zinc ion	dna	16	—	—

Ligands and binding sites

ZN · Zinc ion · metal · chains A

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

Interfaces

3 interfaces between chains.

B–C · 791 Å² buried · 83 hydrogen bonds · nucleic-nucleic
A–B · 606 Å² buried · 13 hydrogen bonds · protein-nucleic
A–C · 543 Å² buried · 11 hydrogen bonds · protein-nucleic

Compared structures

2KO0 · Solution structure of the THAP zinc finger of THAP1 in complex with its DNA target · the same entry in another collection · chain A against A, TM-score 1.00
Q9NVV9 · AlphaFold monomer V2.0 prediction for thap domain-containing protein 1 (Q9NVV9) · a predicted model of the same protein · chain A against A, TM-score 0.67

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 Q9NVV9
Elsewhere: RCSB PDB 2KO0 · PDBe 2KO0 · UniProt Q9NVV9

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