MolNFT v1 · #161339 · protein

Structure of the H1 domain of human KCTD16

6QB7 · BTB/POZ domain-containing protein KCTD16: “Structure of the H1 domain of human KCTD16”. X-ray diffraction, 1 ligand (PO4), 2 pockets (best druggability 0.81). MolNFT v1 #161339 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 6QB7
Type: protein
Length: 565 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: BTB/POZ domain-containing protein KCTD16
UniProt: Q68DU8
Ligands: PO4
Pockets: 2 · best druggability 0.81

Structure

x-ray diffraction · 4 distinct chains · 19% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	BTB/POZ domain-containing protein KCTD16	protein	114	18% helix, 42% strand	Q68DU8
C	BTB/POZ domain-containing protein KCTD16	protein	112	19% helix, 43% strand	Q68DU8
D	BTB/POZ domain-containing protein KCTD16	protein	112	19% helix, 43% strand	Q68DU8
E	BTB/POZ domain-containing protein KCTD16	protein	113	19% helix, 42% strand	Q68DU8

Ligands and binding sites

PO4 · Phosphate ion · ion · 15 copies · chains A, B, C, D, E

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

Pockets

2 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	918	0.81	0.83	71	PO4
2	64	0.46	0.83	21	empty

Interfaces

5 interfaces between chains.

D–E · 1421 Å² buried · 10 hydrogen bonds · protein-protein
A–E · 1396 Å² buried · 11 hydrogen bonds · protein-protein
A–B · 1361 Å² buried · 9 hydrogen bonds · protein-protein
B–C · 1342 Å² buried · 13 hydrogen bonds · protein-protein
C–D · 1267 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

6QB7 · Structure of the H1 domain of human KCTD16 · the same entry in another collection · chain E against E, TM-score 1.00
Q68DU8 · AlphaFold monomer V2.0 prediction for BTB/POZ domain-containing protein KCTD16 (Q68DU8) · a predicted model of the same protein · chain D against A, TM-score 0.96

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 Q68DU8
Elsewhere: RCSB PDB 6QB7 · PDBe 6QB7 · UniProt Q68DU8

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