PDB entry 2cib
View 2cib on RCSB PDB site
Description: high throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for cyp51 inhibitors
Class: oxidoreductase
Keywords: heme, heme lipid synthesis, metal-binding, monooxygenase, nadp, oxidoreductase, protein-inhibitor complex, steroid biosynthesis, sterol biosynthesis
Deposited on
2006-03-17, released
2007-07-03
The last revision prior to the SCOPe 2.01 freeze date was dated
2009-04-21, with a file datestamp of
2009-04-17.
Experiment type: XRAY
Resolution: 1.5 Å
R-factor: 0.204
AEROSPACI score: 0.61
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: cytochrome p450 51
Species: Mycobacterium tuberculosis [TaxId:83332]
Database cross-references and differences (RAF-indexed):
- Uniprot P0A512
- engineered mutation (36)
- engineered mutation (441)
- PDB 2CIB
Domains in SCOPe 2.01: d2ciba_ - Heterogens: HEM, CM6, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>2cibA (A:)
msavalprvsgghdehghleefrtdpiglmqrvrdelgdvgtfqlagkqvvllsgshane
fffragdddldqakaypfmtpifgegvvfdasperrkemlhnaalrgeqmkghaatiedq
vrrmiadwgeageidlldffaeltiytssacligkkfrdqldgrfaklyhelergtdpla
yvdpylpiesfrrrdearnglvalvadimngrianpptdksdrdmldvliavkaetgtpr
fsadeitgmfismmfaghhtssgtaswtlielmrhrdayaavideldelygdgrsvsfha
lrqipqlenvlketlrlhppliilmrvakgefevqghrihegdlvaaspaisnripedfp
dphdfvparyeqprqedllnrwtwipfgagrhrcvgaafaimqikaifsvllreyefema
qppesyrndhskmvvqlaqpaavryrrrtgvhhhh
Sequence, based on observed residues (ATOM records): (download)
>2cibA (A:)
alprvsgghdehghleefrtdpiglmqrvrdelgdvgtfqlagkqvvllsgshanefffr
agdddldqakaypfmtpifglrgeqmkghaatiedqvrrmiadwgeageidlldffaelt
iytssacligkkfrdqldgrfaklyhelergtdplayvdpylpiesfrrrdearnglval
vadimngrianpdrdmldvliavkaetgtprfsadeitgmfismmfaghhtssgtaswtl
ielmrhrdayaavideldelygdgrsvsfhalrqipqlenvlketlrlhppliilmrvak
gefevqghrihegdlvaaspaisnripedfpdphdfvparyeqprqedllnrwtwipfga
grhrcvgaafaimqikaifsvllreyefemaqppesyrndhskmvvqlaqpaavryrrrt