Human carbonic anhydrase II with bound IrCp* complex (cofactor 9) to generate an artificial transfer hydrogenase (ATHase)

Summary for 6QFW

DescriptorCarbonic anhydrase 2, 4-[3-(8-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8$l^{4}-diaza-9$l^{7}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{7}-iridapentacyclo[^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)propyl]benzenesulfonamide, ZINC ION, ... (6 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 weight30324.02
Rebelein, J.G. (deposition date: 2019-01-10, release date: 2019-04-17)
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, 2019
DOI: 10.1021/acscatal.9b01006
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.189300 2.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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