[NiFe] Hydrogenase from Desulfovibrio desulfuricans ATCC 27774

BIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS(MU-2--SULFIDO)-TRIS(CYS-S)-TRI-IRON] (AQUA)(GLU-O)IRON(II)

[Nife] Hydrogenase from Desulfovibrio Desulfuricans Atcc 27774: Gene Sequencing, Three-Dimensional Structure Determination and Refinement at 1.8 A and Modelling Studies of its Interaction with the Tetrahaem Cytochrome C3.

ALTGSRPSVVYLHAAECTGCSEALLRTYQPFIDTLILDTISLDYHETIMAAAGEAAEEALQAAVNGPDGFICLVEGAIPT
GMDNKYGYIAGHTMYDICKNILPKAKAVVSIGTCACYGGIQAAKPNPTAAKGINDCYADLGVKAINVPGCPPNPLNMVGT
LVAFLKGQKIELDEVGRPVMFFGQSVHDLCERRKHFDAGEFAPSFNSEEARKGWCLYDVGCKGPETYNNCPKVLFNETNW
PVAAGHPCIGCSEPNFWDDMTPFYQN

SQVTKTPRSNYTGPIVVDPLTRIEGHLRIEVEVEGGVIKEARSCATLFRGIETILKGRDPRDAQHFTQRTCGVCTYTHAL
ASTRCLEDAINKPIPANATYIRNLVLGNQFMHDHLVHFYHLHALDFVDVTSALLADPAKAAKLANSISPRKATTEEFAAV
QAKLKTFVASGQLGPFTNAYFLGGHEGYYMDPEANLVCTAHYLQALRAQVEVAKGMAVFGAKNPHTQFTVAGGVTCYEAL
TPERIKQFRELYVKARAFIEEVYIPDLLLVASYYKDWGKIGGTNNFMAFGEFPAPGGERDLNSRWYKPGVIYDRKVGSVQ
PFDPSKIEEHVRHSWYEGKARAPFEGETNPHFTFMGDTDKYSWNKAPRYDGHAVETGPLAQMLVAYGHNHKTIKPTIDAV
LGKLNLGPEALFSTLGRTAARGIQTLVIAQQMENWLNEYENNIVKDKQIVEDYAVPTSARGVGFADVSRGGLSHWMTIED
GKIDNFQLVVPTTWNLGPRDDKGVPSAAEAALVGTPVADPKRPVEILRTIHSFDPCIACSTH

25% (W/V) PEG 4000, 0.1 M TRIS-HCL BUFFER PH 8.5, 0.2 M MGCL2 AND A TRACE AMOUNT OF A DETERGENT, C12-DAO.

CRYSTAL STRUCTURE OF THE OXIDIZED FORM OF NI-FE HYDROGENASE

THERE IS AN INITIAL MET 1 THAT WAS NOT CONSIDERED IN THE SEQUENCE USED FOR THE CRYSTALLOGRAPHIC REFINEMENT. THUS, THERE IS A +1 RESIDUE NUMBER SHIFT BETWEEN THE COORDINATES AND THE PUBLISHED SEQUENCE.

FOR EACH CHAIN THE N-TERMINAL RESIDUES 1-4 (CHAINS A AND C) AND 1-5 (CHAINS B AND D) WERE NOT OBSERVED IN THE DENSITY MAPS
HYDROGENASE, MOLECULAR MODELLING, ELECTRON TRANSFER