Structure of PDB 6gcg Chain A Binding Site BS02

Receptor Information

>6gcg Chain A (length=333) Species: 223 (Achromobacter cycloclastes)

DISTLPRVKVDLVKPPFVHAHDQVAKTGPRVVEFTMTIEEKKLVIDREGT
EIHAMTFNGSVPGPLMVVHENDYVELRLINPDTNTLLHNIDFHAATGALG
GGALTQVNPGEETTLRFKATKPGVFVYHCAPEGMVPWHVTSGMNGAIMVL
PRDGLKDEKGQPLTYDKIYYVGEQDFYVPKDEAGNYKKYETPGEAYEDAV
KAMRTLTPTHIVFNGAVGALTGDHALTAAVGERVLVVHSQANRDTRPHLI
GGHGDYVWATGKFRNPPDLDQETWLIPGGTAGAAFYTFRQPGVYAYVNHN
LIEAFELGAAGHFKVTGEWNDDLMTSVVKPASM

Ligand information

• Ligand ID: CU
• InChI: InChI=1S/Cu/q+2
• InChIKey: JPVYNHNXODAKFH-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Cu+2]
  CACTVS 3.341: [Cu++]
• Formula: Cu
• Name: COPPER (II) ION
• DrugBank: DB14552
• PDB chain: 6gcg Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6gcg Resolving polymorphs and radiation-driven effects in microcrystals using fixed-target serial synchrotron crystallography.
• Resolution: 1.80015 Å
• Binding residue (original residue number in PDB): H100 H135
• Binding residue (residue number reindexed from 1): H93 H128
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H95 D98 H100 H135 C136 H145 M150 H255 E279 T280 H306
• Catalytic site (residue number reindexed from 1): H88 D91 H93 H128 C129 H138 M143 H248 E272 T273 H299
• Enzyme Commision number: 1.7.2.1: nitrite reductase (NO-forming).

Gene Ontology

Molecular Function

• GO:0005507 copper ion binding
• GO:0050421 nitrite reductase (NO-forming) activity

External links

• PDB: RCSB:6gcg, PDBe:6gcg, PDBj:6gcg
• PDBsum: 6gcg
• PubMed: 30821704
• UniProt: P25006|NIR_ACHCY Copper-containing nitrite reductase (Gene Name=nirK)