MolNFT v1 · #65064 · protein

Crystal structure of the focal adhesion targeting (fat) domain of PYK2 in complex with paxillin LD4 motif-derived peptides

3GM1 · Protein tyrosine kinase 2 beta: “Crystal structure of the focal adhesion targeting (fat) domain of PYK2 in complex with paxillin LD4…”. X-ray diffraction, 4 pockets (best druggability 0.46). MolNFT v1 #65064 on GenesisL1: 3D…

PDB: 3GM1
Type: protein
Length: 328 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein tyrosine kinase 2 beta; Paxillin
EC: 2.7.10.2
UniProt: Q14289, P49023
Pockets: 4 · best druggability 0.46

Structure

x-ray diffraction · 5 distinct chains · 71% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein tyrosine kinase 2 beta (EC 2.7.10.2)	protein	140	71% helix, 0% strand	Q14289
E, C	Paxillin	protein	11	73% helix, 0% strand	P49023
F	Paxillin	protein	13	54% helix, 0% strand	P49023
B	Protein tyrosine kinase 2 beta (EC 2.7.10.2)	protein	141	72% helix, 0% strand	Q14289
D	Paxillin	protein	12	75% helix, 0% strand	P49023

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	98	0.46	0.80	15	empty
2	61	0.32	0.76	15	empty
3	57	0.32	0.77	15	empty
4	54	0.30	0.76	13	empty

Interfaces

7 interfaces between chains.

A–B · 621 Å² buried · 7 hydrogen bonds · protein-protein
A–E · 567 Å² buried · 7 hydrogen bonds · protein-protein
A–F · 540 Å² buried · 2 hydrogen bonds · protein-protein
B–C · 526 Å² buried · 7 hydrogen bonds · protein-protein
B–D · 472 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

3GM1 · Crystal Structure of the Focal Adhesion Targeting (FAT) Domain of Pyk2 in Complex with… · the same entry in another collection · chain D against D, TM-score 1.00
Q14289 · AlphaFold monomer V2.0 prediction for protein-tyrosine kinase 2-beta (Q14289) · a predicted model of the same protein · chain A against A, TM-score 0.94
P49023 · AlphaFold monomer V2.0 prediction for paxillin (P49023) · a predicted model of the same protein · chain F against A, TM-score 0.72

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 Q14289
Every structure of UniProt P49023
Elsewhere: RCSB PDB 3GM1 · PDBe 3GM1 · UniProt Q14289 · UniProt P49023

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