Crystal Structure of partially reduced Periplasmic Nitrate Reductase from Cupriavidus necator using Ionic Liquids

2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE

The crystal structure of Cupriavidus necator nitrate reductase in oxidized and partially reduced states

ANFVTDSEVTKLKWSKAPCRFCGTGCGVTVAVKDNKVVATQGDPQAEVNKGLNCVKGYFLSKIMYGQDRLTRPLMRMKNG
KYDKNGDFAPVTWDQAFDEMERQFKRVLKEKGPTAVGMFGSGQWTVWEGYAAAKLYKAGFRSNNIDPNARHCMASAAAGF
MRTFGMDEPMGCYDDFEAADAFVLWGSNMAEMHPILWTRVTDRRLSHPKTRVVVLSTFTHRCFDLADIGIIFKPQTDLAM
LNYIANYIIRNNKVNKDFVNKHTVFKEGVTDIGYGLRPDHPLQKAAKNASDPGAAKVITFDEFAKFVSKYDADYVSKLSA
VPKAKLDQLAELYADPNIKVMSLWTMGFNQHTRGTWANNMVYNLHLLTGKIATPGNSPFSLTGQPSACGTAREVGTFSHR
LPADMVVTNPKHREEAERIWKLPPGTIPDKPGYDAVLQNRMLKDGKLNAYWVQVNNNMQAAANLMEEGLPGYRNPANFIV
VSDAYPTVTALAADLVLPSAMWVEKEGAYGNAERRTQFWHQLVDAPGEARSDLWQLVEFAKRFKVEEVWPPELIAKKPEY
KGKTLYDVLYRNGQVDKFPLKDVNAEYHNAEAKAFGFYLQKGLFEEYATFGRGHGHDLAPFDAYHEARGLRWPVVNGKET
RWRYREGSDPYVKAGTGFQFYGNPDGKAVIFALPYEPPAESPDKEYPYWLVTGRVLEHWHSGSMTRRVPELYRSFPNAVV
FMHPEDAKALGLRRGVEVEVVSRRGRMRSRIETRGRDAPPRGLVFVPWFDASQLINKVTLDAT(OCS)PISLQTDFKKCA
VKIVKV

ANFVTDSEVTKLKWSKAPCRFCGTGCGVTVAVKDNKVVATQGDPQAEVNKGLNCVKGYFLSKIMYGQDRLTRPLMRMKNG
KYDKNGDFAPVTWDQAFDEMERQFKRVLKEKGPTAVGMFGSGQWTVWEGYAAAKLYKAGFRSNNIDPNARHCMASAAAGF
MRTFGMDEPMGCYDDFEAADAFVLWGSNMAEMHPILWTRVTDRRLSHPKTRVVVLSTFTHRCFDLADIGIIFKPQTDLAM
LNYIANYIIRNNKVNKDFVNKHTVFKEGVTDIGYGLRPDHPLQKAAKNASDPGAAKVITFDEFAKFVSKYDADYVSKLSA
VPKAKLDQLAELYADPNIKVMSLWTMGFNQHTRGTWANNMVYNLHLLTGKIATPGNSPFSLTGQPSACGTAREVGTFSHR
LPADMVVTNPKHREEAERIWKLPPGTIPDKPGYDAVLQNRMLKDGKLNAYWVQVNNNMQAAANLMEEGLPGYRNPANFIV
VSDAYPTVTALAADLVLPSAMWVEKEGAYGNAERRTQFWHQLVDAPGEARSDLWQLVEFAKRFKVEEVWPPELIAKKPEY
KGKTLYDVLYRNGQVDKFPLKDVNAEYHNAEAKAFGFYLQKGLFEEYATFGRGHGHDLAPFDAYHEARGLRWPVVNGKET
RWRYREGSDPYVKAGTGFQFYGNPDGKAVIFALPYEPPAESPDKEYPYWLVTGRVLEHWHSGSMTRRVPELYRSFPNAVV
FMHPEDAKALGLRRGVEVEVVSRRGRMRSRIETRGRDAPPRGLVFVPWFDASQLINKVTLDATCPISLQTDFKKCAVKIV
KV

QGLVDAMRGPTAIANEPRAPLLYPTENKDIRRTRNYTMQPPTIPHKIDGYQLDKDFNRCMFCHARTRTEETQAIPVSITH
YMDRDNNVLADVSPRRYFCTQCHVPQADTKPLIGNNFVDVDTILKRRPGAKGAAK

15% PEG 3350, 0.2M sodium formate, 0.4M [C4MIM]Cl-, pH 7.0, VAPOR DIFFUSION, temperature 293K

THE RESIDUE A 900 WAS ORIGINALLY DEPOSITED AS A ISOLATED SULFUR ATOM. THE HETEROGEN S IS NOW OBSOLETE IN THE PDB HETGROUP DICTIONARY. IN THIS ENTRY, IT IS TREATED AS A PART OF MOS A1802. OTHER SULFURS OF MOLYBDENUM ATOM ARE SUPPLIED FROM SURROUNDING MGDS.

HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS