Human carbonic anhydrase II with bound IrCp* complex (cofactor 7) to generate an artificial transfer hydrogenase (ATHase)

Summary for 6QFU

DescriptorCarbonic anhydrase 2, 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, ZINC ION, ... (5 entities in total)
Functional Keywordsartificial transfer hydrogenase, bound ircp* complex, zinc binding protein, human carbonic anhydrase ii, oxidoreductase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight30117.77
Rebelein, J.G. (deposition date: 2019-01-10, release date: 2019-04-17, Last modification date: 2019-05-22)
Primary citation
Rebelein, J.G.,Cotelle, Y.,Garabedian, B.,Ward, T.R.
Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein.
Acs Catalysis, 9:4173-4178, 2019
PubMed: 31080690 (PDB entries with the same primary citation)
DOI: 10.1021/acscatal.9b01006
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.19810 0.5% 0.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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