4ZJJ
PAK1 in complex with (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004672 | molecular_function | protein kinase activity |
A | 0005524 | molecular_function | ATP binding |
A | 0006468 | biological_process | protein phosphorylation |
B | 0004672 | molecular_function | protein kinase activity |
B | 0005524 | molecular_function | ATP binding |
B | 0006468 | biological_process | protein phosphorylation |
C | 0004672 | molecular_function | protein kinase activity |
C | 0005524 | molecular_function | ATP binding |
C | 0006468 | biological_process | protein phosphorylation |
D | 0004672 | molecular_function | protein kinase activity |
D | 0005524 | molecular_function | ATP binding |
D | 0006468 | biological_process | protein phosphorylation |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 15 |
Details | binding site for residue 4OR A 601 |
Chain | Residue |
A | MET301 |
A | LEU405 |
A | THR406 |
A | HOH705 |
A | HOH757 |
A | HOH774 |
A | HOH817 |
A | GLU315 |
A | VAL318 |
A | MET319 |
A | ASN322 |
A | ILE327 |
A | VAL328 |
A | ASN383 |
A | HIS387 |
site_id | AC2 |
Number of Residues | 15 |
Details | binding site for residue 4OR B 601 |
Chain | Residue |
B | MET301 |
B | GLU315 |
B | MET319 |
B | ASN322 |
B | ILE327 |
B | VAL328 |
B | VAL342 |
B | PHE379 |
B | ASN383 |
B | HIS387 |
B | LEU405 |
B | THR406 |
B | HOH723 |
B | HOH724 |
B | HOH754 |
site_id | AC3 |
Number of Residues | 13 |
Details | binding site for residue 4OR C 601 |
Chain | Residue |
C | GLU315 |
C | VAL318 |
C | MET319 |
C | ASN322 |
C | ILE327 |
C | VAL328 |
C | VAL342 |
C | PHE379 |
C | LEU380 |
C | ASN383 |
C | HIS387 |
C | LEU405 |
C | THR406 |
site_id | AC4 |
Number of Residues | 4 |
Details | binding site for residue MG C 602 |
Chain | Residue |
C | GLU461 |
C | HOH704 |
C | HOH795 |
C | HOH826 |
site_id | AC5 |
Number of Residues | 15 |
Details | binding site for residue 4OR D 601 |
Chain | Residue |
D | MET301 |
D | GLU315 |
D | VAL318 |
D | MET319 |
D | ASN322 |
D | ILE327 |
D | VAL328 |
D | PHE379 |
D | ASN383 |
D | HIS387 |
D | LEU405 |
D | THR406 |
D | ASP407 |
D | PHE410 |
D | HOH803 |
site_id | AC6 |
Number of Residues | 4 |
Details | binding site for residue MG D 602 |
Chain | Residue |
D | GLU461 |
D | HOH701 |
D | HOH709 |
D | HOH747 |
Functional Information from PROSITE/UniProt
site_id | PS00107 |
Number of Residues | 24 |
Details | PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGQGASGTVYtAmdvatgqe..........VAIK |
Chain | Residue | Details |
A | ILE276-LYS299 |
site_id | PS00108 |
Number of Residues | 13 |
Details | PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. ViHrDIKsdNILL |
Chain | Residue | Details |
A | VAL385-LEU397 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 4 |
Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"22153498","evidenceCode":"ECO:0000269"}]} |
Chain | Residue | Details |
site_id | SWS_FT_FI2 |
Number of Residues | 44 |
Details | Binding site: {"evidences":[{"source":"PubMed","id":"22153498","evidenceCode":"ECO:0000269"}]} |
Chain | Residue | Details |
site_id | SWS_FT_FI3 |
Number of Residues | 4 |
Details | Modified residue: {"description":"Phosphotyrosine; by JAK2","evidences":[{"source":"PubMed","id":"17726028","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17989089","evidenceCode":"ECO:0000269"}]} |
Chain | Residue | Details |
site_id | SWS_FT_FI4 |
Number of Residues | 4 |
Details | Modified residue: {"description":"Phosphothreonine; by autocatalysis, BRSK2 and PDPK1","evidences":[{"source":"PubMed","id":"10551809","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10995762","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22153498","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22669945","evidenceCode":"ECO:0000269"}]} |
Chain | Residue | Details |