Structure of PDB 7f4c Chain A Binding Site BS01

Receptor Information
>7f4c Chain A (length=300) Species: 273063 (Sulfurisphaera tokodaii str. 7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLLLFGYGNVGKAFRKLLHEKRSPELNDVIIGGIVTRRGIMLQDKEDFT
PDLEGDVFKAFEKIKPDIIVDVSSANYNNGEPSLSLYKEAIKDGVNIITT
NKAPLALAFNEIFSLARSKGVKIGFQGTVMSGTPSINLYRVLPGSRVIKI
RGILNGTTNFILTLMNKGVSFEEALKEAQRRGYAEEDPTLDINGFDAAAK
ITILANFMIGNSVTIKDVKFEGINRDLKIKLIAYADEKEVWVKPLPISQD
DPLYNVDGVENALEITTDIQSILIRGPGAGPVNAAYGALSDLILLKRDCL
Ligand information
Ligand IDNAP
InChIInChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyXJLXINKUBYWONI-NNYOXOHSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
CACTVS 3.341NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@@](O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
FormulaC21 H28 N7 O17 P3
NameNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE;
2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE
ChEMBLCHEMBL295069
DrugBankDB03461
ZINC
PDB chain7f4c Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7f4c Conformational changes in the catalytic region are responsible for heat-induced activation of hyperthermophilic homoserine dehydrogenase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		F6 G7 Y8 G9 N10 V11 T37 R38 R39 V72 S73 S74 T100 K102 G127 S131 E185 G284 A288
Binding residue
(residue number reindexed from 1)		F6 G7 Y8 G9 N10 V11 T37 R38 R39 V72 S73 S74 T100 K102 G127 S131 E185 G280 A284
Annotation score4
Enzymatic activity
Enzyme Commision number 1.1.1.3: homoserine dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004412 homoserine dehydrogenase activity
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050661 NADP binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0009086 methionine biosynthetic process
GO:0009088 threonine biosynthetic process
GO:0009090 homoserine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7f4c, PDBe:7f4c, PDBj:7f4c
PDBsum7f4c
PubMed35835834
UniProtF9VNG5|DHOM_SULTO Homoserine dehydrogenase (Gene Name=hom)

[Back to BioLiP]