Structure of PDB 6jv1 Chain A Binding Site BS01

Receptor Information

>6jv1 Chain A (length=271) Species: 1111708 (Synechocystis sp. PCC 6803 substr. Kazusa)

DIRILMCPPDHYDVDYVINPWMEGNIHKSSQERAVEQWKKLHQTIKECAI
VDLVKPAKGWPDMVFTANAGLVLGENVVLSRFYHKERQGEEPYFKAWFEE
NGFTVYELPQDLPFEGAGDALFDREGRWLWAGYGFRSELDSHPYIAKWLD
TEVVSLRLIDERFYHLDTCFCPLSGGYLLYYPPAFDAYSNRVIEMRIPPE
KRIIVEELDAVNFACNAVNVNDIIIMNLVSRTLKEKLAEAGFKVRETPLT
EFLKAGGAAKSLTLRVTEPIL

Ligand information

• Ligand ID: ARG
• InChI: InChI=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
• InChIKey: ODKSFYDXXFIFQN-BYPYZUCNSA-O
• SMILES:
  OpenEye OEToolkits 1.5.0: C(CC(C(=O)O)N)CNC(=[NH2+])N
  CACTVS 3.341: N[C@@H](CCCNC(N)=[NH2+])C(O)=O
  OpenEye OEToolkits 1.5.0: C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
  CACTVS 3.341: N[CH](CCCNC(N)=[NH2+])C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CCCN\C(=[NH2+])N
• Formula: C6 H15 N4 O2
• Name: ARGININE
• PDB chain: 6jv1 Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6jv1 Crystal structures and biochemical analyses of the bacterial arginine dihydrolase ArgZ suggests a "bond rotation" catalytic mechanism.
• Resolution: 1.2 Å
• Binding residue (original residue number in PDB): I21 M25 D65 F68 N71 R90 R139 Y167 H168 D170 A258 S264
• Binding residue (residue number reindexed from 1): I18 M22 D62 F65 N68 R87 R136 Y164 H165 D167 A255 S261
• Annotation score: 5

External links

• PDB: RCSB:6jv1, PDBe:6jv1, PDBj:6jv1
• PDBsum: 6jv1
• PubMed: 31914412
• UniProt: P74535|ARGZ_SYNY3 Bifunctional arginine dihydrolase/ornithine cyclodeaminase ArgZ (Gene Name=argZ)