MolNFT v1 · #190920 · protein

Crystal structure of P63 dbd in complex with darpin C14

7Z71 · Isoform 4 of tumor protein 63: “Crystal structure of P63 dbd in complex with darpin C14”. X-ray diffraction, 1 ligand (ZN), 7 pockets (best druggability 0.76). MolNFT v1 #190920 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 7Z71
Type: protein
Length: 699 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Isoform 4 of tumor protein 63; Darpin C14
UniProt: Q9H3D4
Ligands: ZN
Pockets: 7 · best druggability 0.76

Structure

x-ray diffraction · 3 distinct chains · 22% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Isoform 4 of tumor protein 63	protein	196	8% helix, 34% strand	Q9H3D4
B, D	Darpin C14	protein	157	56% helix, 0% strand	—
C	Isoform 4 of tumor protein 63	protein	189	8% helix, 35% strand	Q9H3D4

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A, C

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

Pockets

7 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	897	0.76	0.79	89	empty
2	625	0.75	0.81	81	empty
3	74	0.42	0.80	15	empty
4	111	0.38	0.75	19	empty
5	97	0.37	0.75	18	empty

Interfaces

5 interfaces between chains.

C–D · 1067 Å² buried · 12 hydrogen bonds · protein-protein
A–B · 1056 Å² buried · 24 hydrogen bonds · protein-protein
B–D · 449 Å² buried · 3 hydrogen bonds · protein-protein
B–C · 82 Å² buried · 1 hydrogen bond · protein-protein
A–C · 65 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

7Z71 · Crystal structure of p63 DBD in complex with darpin C14 · the same entry in another collection · chain A against A, TM-score 1.00
Q9H3D4 · AlphaFold monomer V2.0 prediction for tumor protein 63 (Q9H3D4) · a predicted model of the same protein · chain C 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 Q9H3D4
Elsewhere: RCSB PDB 7Z71 · PDBe 7Z71 · UniProt Q9H3D4

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