Structure of PDB 7x7k Chain B Binding Site BS02

Receptor Information
>7x7k Chain B (length=583) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTTYTIFGAGPAGLYTAWRLVTGGKAVAGDTIQLYEWGDYAFDGPGSGTR
LPAGRIVTHFCNDDPKQSYIEAGGMRFIEWDGTKSQGHQLVTLTIQALGL
SGKVIDFNTTDNPLLFLREEHIYQNDLATHPAPYNTPGNNEQPAATLFSN
ISALITGDAPVSTRTQQCAFYGSGRLPSTFNSFVYPPGSIAGNIGYWNVF
YDQAGNEGYEYAADAGGYTSNVINWNAANAAVYNGEFAPGGAFKTVNGGY
SQVFVQLYQQTLAAAQEAGVAFTLTQRTRLHSVWLEDDVVNYRLASAENP
FKGGAVQTTQNAFLAMPPASLDLVAEATRYADMPEGTLDILNAEGVQLYM
DGVIRQPSMRVMLFFDRPWWTDADVPYPPDLTSDGAPNTFGPTITDLPLR
QVYYFGNNSDGTANPVYGVLASYDDMQYVQFWQELEIDVGERRKVPIDQD
YQVLFGPRKATDTMIRMVLLELAKVHWGDPNAAHQIPWPVEAIFNDFSLN
PFGAGYHAWAAHYDICDVMQRIRQPTGLVPGATAANLFIIGEAYSNDQAW
VEGAFCTAESVLVDYYGMTTIADTTNYPLICAC
Ligand information
Ligand IDARG
InChIInChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
InChIKeyODKSFYDXXFIFQN-BYPYZUCNSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[C@@H](CCCNC(N)=[NH2+])C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[CH](CCCNC(N)=[NH2+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCN\C(=[NH2+])N
FormulaC6 H15 N4 O2
NameARGININE
ChEMBL
DrugBank
ZINC
PDB chain7x7k Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7x7k Reaction Mechanism of Ancestral l-Lys alpha-Oxidase from Caulobacter Species Studied by Biochemical, Structural, and Computational Analysis
Resolution1.6 Å
Binding residue
(original residue number in PDB)		R77 Y219 T220 Y507 A550 W551
Binding residue
(residue number reindexed from 1)		R76 Y218 T219 Y506 A549 W550
Annotation score4
External links