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4YMJ

(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0004713molecular_functionprotein tyrosine kinase activity
A0004714molecular_functiontransmembrane receptor protein tyrosine kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
A0007169biological_processcell surface receptor protein tyrosine kinase signaling pathway
A0016020cellular_componentmembrane
B0004672molecular_functionprotein kinase activity
B0004713molecular_functionprotein tyrosine kinase activity
B0004714molecular_functiontransmembrane receptor protein tyrosine kinase activity
B0005524molecular_functionATP binding
B0006468biological_processprotein phosphorylation
B0007169biological_processcell surface receptor protein tyrosine kinase signaling pathway
B0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues11
Detailsbinding site for residue 4EJ A 901
ChainResidue
AGLY545
APHE698
AGOL902
AVAL552
AALA570
ALYS572
APHE617
AGLU618
ATYR619
AMET620
ALEU686

site_idAC2
Number of Residues9
Detailsbinding site for residue GOL A 902
ChainResidue
ALYS572
AGLU588
ALEU592
APHE617
AGLY696
AASP697
APHE698
A4EJ901
AGOL903

site_idAC3
Number of Residues4
Detailsbinding site for residue GOL A 903
ChainResidue
AILE695
AGLY696
AASP697
AGOL902

site_idAC4
Number of Residues10
Detailsbinding site for residue GOL A 904
ChainResidue
AARG735
ATRP754
ATRP771
ACYS782
AILE783
AARG787
AVAL788
ALEU789
ATRP807
AHOH1067

site_idAC5
Number of Residues6
Detailsbinding site for residue CL A 905
ChainResidue
AARG535
AILE538
ALEU540
BARG535
BILE538
BLEU540

site_idAC6
Number of Residues13
Detailsbinding site for residue 4EJ B 901
ChainResidue
BVAL552
BALA570
BLYS572
BPHE617
BGLU618
BTYR619
BMET620
BGLY623
BLEU686
BPHE698
BMET700
BGOL902
BHOH1048

site_idAC7
Number of Residues6
Detailsbinding site for residue GOL B 902
ChainResidue
BLYS572
BGLY696
BASP697
BPHE698
B4EJ901
BGOL904

site_idAC8
Number of Residues6
Detailsbinding site for residue GOL B 903
ChainResidue
BHIS599
BHIS658
BGLN662
BASN690
BLEU691
BLEU692

site_idAC9
Number of Residues7
Detailsbinding site for residue GOL B 904
ChainResidue
BILE600
BPHE675
BILE695
BGLY696
BASP697
BGOL902
BHOH1122

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues29
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGEGAFGKVFlAecynlsptkdkml.....VAVK
ChainResidueDetails
ALEU544-LYS572

site_idPS00109
Number of Residues13
DetailsPROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. FVHrDLATRNCLV
ChainResidueDetails
APHE675-VAL687

site_idPS00239
Number of Residues9
DetailsRECEPTOR_TYR_KIN_II Receptor tyrosine kinase class II signature. DVYstdYYR
ChainResidueDetails
AASP703-ARG711

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028
ChainResidueDetails
AVAL687
BVAL687

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
AVAL552
AALA580
BVAL552
BALA580

site_idSWS_FT_FI3
Number of Residues6
DetailsMOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000250
ChainResidueDetails
AGLY727
AMET731
ALEU732
BGLY727
BMET731
BLEU732

227561

PDB entries from 2024-11-20

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