5HNI: CMET WT with compound 3

CRYSTAL STRUCTURE OF CMET WT with compound 3. Determined by X-ray diffraction at 1.71 Å resolution. Released 23 Nov 2016.

Method: X-ray diffraction
Resolution: 1.71 Å
Organism: Homo sapiens
Chains: 2
Atoms: 4,345
Mol. weight: 71.48 kDa
Ligands: 63B
Released: 23 Nov 2016

Explore 5HNI in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5HNI contains 30 α-helices and 24 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain X: 16 helices, 12 β-strands

Element	Residues	Length	Sheet
β-strand	1070	1	1
β-strand	1092-1096	5	1
β-strand	1106-1110	5	1
α-helix	1124-1133	10
β-strand	1136	1	2
β-strand	1139	1	2
β-strand	1144-1146	3	1
α-helix	1153	1
β-strand	1154-1158	5	1
β-strand	1164	1	2
α-helix	1165-1170	6
β-strand	1177	1	3
α-helix	1178-1197	20
α-helix	1207-1209	3
β-strand	1210-1212	3	2
β-strand	1218-1220	3	2
α-helix	1224-1226	3
α-helix	1252-1257	6
α-helix	1262-1277	16
α-helix	1281-1282	2
α-helix	1289-1291	3
α-helix	1292-1297	6
α-helix	1302-1305	4
α-helix	1310-1319	10
α-helix	1324-1326	3
α-helix	1328-1329	2
α-helix	1330-1342	13
β-strand	1349	1	3

Chain Y: 14 helices, 12 β-strands

Element	Residues	Length	Sheet
β-strand	1070	1	4
β-strand	1092-1096	5	4
β-strand	1106-1110	5	4
α-helix	1126-1131	6
β-strand	1136	1	5
β-strand	1139	1	5
β-strand	1144-1146	3	4
β-strand	1154-1158	5	4
β-strand	1164	1	5
α-helix	1165-1170	6
β-strand	1177	1	6
α-helix	1178-1197	20
α-helix	1207-1209	3
β-strand	1210-1212	3	5
β-strand	1218-1220	3	5
α-helix	1252-1257	6
α-helix	1262-1277	16
α-helix	1281-1282	2
α-helix	1289-1291	3
α-helix	1292-1297	6
α-helix	1302-1305	4
α-helix	1310-1319	10
α-helix	1324-1326	3
α-helix	1328-1329	2
α-helix	1330-1342	13
β-strand	1349	1	6

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Hepatocyte growth factor receptor	X, Y	protein	312	Homo sapiens	P08581 (AlphaFold model)

Sequence of entity 1 (X, Y), FASTA

>5HNI_1 Hepatocyte growth factor receptor (chains X, Y)
NTVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKKIHCA
VKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSPLVVLPYMKHGDLRNF
IRNETHNPTVKDLIGFGLQVAKGMKFLASKKFVHRDLAARNCMLDEKFTVKVADFGLARD
MYDKEFDSVHNKTGAKLPVKWMALESLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPDVN
TFDITVYLLQGRRLLQPEYCPDPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIGEH
YVHVNATYVNVK

Ligands and cofactors

ID	Name	Formula	Copies
63B	methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1H…	C20 H14 F N7 O2 S	2

Primary citation

Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844). Ugolini, A., Kenigsberg, M., Rak, A. et al. J Med Chem (2016) 59:7066-7074. DOI 10.1021/acs.jmedchem.6b00280 · PubMed

Other PDB entries of the same protein (UniProt P08581 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9T6K 1.13 Å, Crystal structure of wild-type c-MET bound by glumetinib.
9T0D 1.2 Å, Crystal structure of wild-type c-MET bound by glesatinib
4R1V 1.2 Å, Identification and optimization of pyridazinones as potent and selective c-Met kinase…
9SXJ 1.31 Å, Crystal structure of wild-type c-MET bound by capmatinib.
3BUX 1.35 Å, Crystal structure of c-Cbl-TKB domain complexed with its binding motif in c-Met
3F66 1.4 Å, Human c-Met Kinase in complex with quinoxaline inhibitor
3ZCL 1.4 Å, X-ray Structure of c-Met kinase in complex with inhibitor…
9T08 1.46 Å, Crystal structure of wild-type c-MET bound by sitravatinib.
3DKC 1.52 Å, Structure of MET receptor tyrosine kinase in complex with ATP
9T0B 1.54 Å, Crystal structure of D1228V c-MET bound by sitravatinib.
9C1R 1.59 Å, Crystal structure of mutant cMET D1228N kinase domain in complex with inhibitor compound…
3Q6U 1.6 Å, Structure of the apo MET receptor kinase in the dually-phosphorylated, activated state

Browse structure collections

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