Structure of PDB 7kqr Chain B Binding Site BS02

Receptor Information
>7kqr Chain B (length=301) Species: 1957 (Streptomyces sclerotialus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTVLTELPDHGRWDFGDFPYGLEPLTLPEPGSLEAADSGSVPAEFTLTCR
HIAAIAAGGGPAERVQPADSSDRLYWFRWITGHQVTFILWQLLSRELARL
PEEGPERDAALKAMTRYVRGYCAMLLYTGSMPRTVYGDVIRPSMFLQHPG
FSGTWAPDHKPVQALFRGKKLPCVRDSADLAQAVHVYQVIHAGIAARMVP
SGRSLLQEASVPSGVQHPDVLGVVYDNYFLTLRSRPSSRDVVAQLLRRLT
AIALDVKDNALYPDGREAGSELPEELTRPEVTGHERDFLAILSEVAEEAT
G
Ligand information
Ligand IDTYR
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOUYCCCASQSFEME-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)O
CACTVS 3.341N[CH](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O)cc1)C(O)=O
FormulaC9 H11 N O3
NameTYROSINE
ChEMBLCHEMBL925
DrugBankDB00135
ZINCZINC000000266964
PDB chain7kqr Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7kqr Molecular Rationale for Partitioning between C-H and C-F Bond Activation in Heme-Dependent Tyrosine Hydroxylase.
Resolution1.89 Å
Binding residue
(original residue number in PDB)		W84 H88 Y141 R146 M149 F156 S157 G158 S209 Y230
Binding residue
(residue number reindexed from 1)		W79 H83 Y136 R141 M144 F151 S152 G153 S204 Y225
Annotation score4
External links