Structure of PDB 1u54 Chain B Binding Site BS01

Receptor Information

>1u54 Chain B (length=261) Species: 9606 (Homo sapiens)

LTCLIGEKDLRLLEKLGDGVVRRGEWDAPSGKTVSVAVKCLEAMDDFIRE
VNAMHSLDHRNLIRLYGVVLTPPMKMVTELAPLGSLLDRLRKHQGHFLLG
TLSRYAVQVAEGMGYLESKRFIHRDLAARNLLLATRDLVKIGDFGLMRAL
PQNDDHYVMQEHRKVPFAWCAPESLKTRTFSHASDTWMFGVTLWEMFTYG
QEPWIGLNGSQILHKIDKEGERLPRPEDCPQDIYNVMVQCWAHKPEDRPT
FVALRDFLLEA

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 1u54 Chain B Residue 399

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1u54 Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the Cdc42-associated Tyrosine Kinase ACK1.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): N257 D270
• Binding residue (residue number reindexed from 1): N130 D143
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D252 A254 R256 N257 D270 V292
• Catalytic site (residue number reindexed from 1): D125 A127 R129 N130 D143 V165
• Enzyme Commision number: 2.7.10.2: non-specific protein-tyrosine kinase.
  2.7.11.1: non-specific serine/threonine protein kinase.

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0004713 protein tyrosine kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation

External links

• PDB: RCSB:1u54, PDBe:1u54, PDBj:1u54
• PDBsum: 1u54
• PubMed: 15308621
• UniProt: Q07912|ACK1_HUMAN Activated CDC42 kinase 1 (Gene Name=TNK2)