MolNFT v1 · #159055 · protein

Crystal structure of human KCTD16 T1 domain

6OCT · BTB/POZ domain-containing protein KCTD16: “Crystal structure of human KCTD16 T1 domain”. X-ray diffraction, 9 pockets (best druggability 0.73). MolNFT v1 #159055 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6OCT
Type: protein
Length: 957 residues
Chains: 10
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: BTB/POZ domain-containing protein KCTD16
UniProt: Q68DU8
Pockets: 9 · best druggability 0.73

Structure

x-ray diffraction · 9 distinct chains · 39% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	BTB/POZ domain-containing protein KCTD16	protein	98	38% helix, 16% strand	Q68DU8
B	BTB/POZ domain-containing protein KCTD16	protein	95	39% helix, 17% strand	Q68DU8
C	BTB/POZ domain-containing protein KCTD16	protein	96	36% helix, 17% strand	Q68DU8
D, E	BTB/POZ domain-containing protein KCTD16	protein	96	42% helix, 17% strand	Q68DU8
F	BTB/POZ domain-containing protein KCTD16	protein	97	40% helix, 16% strand	Q68DU8
G	BTB/POZ domain-containing protein KCTD16	protein	95	37% helix, 17% strand	Q68DU8
H	BTB/POZ domain-containing protein KCTD16	protein	96	39% helix, 17% strand	Q68DU8
I	BTB/POZ domain-containing protein KCTD16	protein	94	44% helix, 17% strand	Q68DU8
J	BTB/POZ domain-containing protein KCTD16	protein	94	39% helix, 17% strand	Q68DU8

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	573	0.73	0.80	80	empty
2	265	0.54	0.76	59	empty
3	203	0.53	0.78	24	empty
4	83	0.37	0.76	19	empty
5	59	0.36	0.78	19	empty

Interfaces

11 interfaces between chains.

C–D · 888 Å² buried · 21 hydrogen bonds · protein-protein
A–H · 873 Å² buried · 22 hydrogen bonds · protein-protein
C–F · 872 Å² buried · 21 hydrogen bonds · protein-protein
D–J · 863 Å² buried · 17 hydrogen bonds · protein-protein
B–H · 837 Å² buried · 21 hydrogen bonds · protein-protein

Compared structures

6OCT · Crystal structure of human KCTD16 T1 domain · the same entry in another collection · chain J against J, 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 J 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 Q68DU8
Elsewhere: RCSB PDB 6OCT · PDBe 6OCT · UniProt Q68DU8

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