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Crystal structure of human CDK7

Analyse Crystal structure of human CDK7 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1UA2
Type: protein
Length: 1,148 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cell division protein kinase 7
EC: 2.7.1.37
UniProt: P50613
Ligands: ATP
Pockets: 19 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Cell division protein kinase 7 (EC 2.7.1.37)	protein	287	33% helix, 14% strand	P50613

Ligands and binding sites

ATP · Adenosine-5'-triphosphate · ligand · 4 copies · chains A, B, C, D

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

Pockets

19 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	463	0.76	0.84	41	ATP
2	562	0.75	0.82	61	ATP
3	446	0.74	0.84	41	ATP
4	372	0.73	0.84	37	ATP
5	118	0.49	0.80	25	empty

Interfaces

2 interfaces between chains.

A–D · 45 Å² buried · 0 hydrogen bonds · protein-protein
B–C · 13 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (phosphorylation).

Compared structures

1UA2 · Crystal Structure of Human CDK7 · the same entry in another collection · chain D against D, TM-score 1.00
P50613 · AlphaFold monomer V2.0 prediction for cyclin-dependent kinase 7 (P50613) · a predicted model of the same protein · chain C against A, TM-score 0.95

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 P50613
Elsewhere: RCSB PDB 1UA2 · PDBe 1UA2 · UniProt P50613

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