PDB entry 4n6g
View 4n6g on RCSB PDB site
Description: Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Class: hydrolase/hydrolase inhibitor
Keywords: procaspse-6, caspase-6 zymogen, allosteric, Structure Based Drug Design, cysteine protease, HYDROLASE, hydrolase-hydrolase inhibitor complex
Deposited on
2013-10-11, released
2014-01-01
The last revision prior to the SCOPe 2.07 freeze date was dated
2014-01-22, with a file datestamp of
2014-01-17.
Experiment type: XRAY
Resolution: 2.14 Å
R-factor: 0.181
AEROSPACI score: 0.35
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: Caspase-6
Species: Homo sapiens [TaxId:9606]
Gene: CASP6, MCH2, procaspase-6
Database cross-references and differences (RAF-indexed):
- Uniprot P55212
- engineered mutation (142)
Domains in SCOPe 2.07: d4n6ga_ - Chain 'B':
Compound: Caspase-6
Species: Homo sapiens [TaxId:9606]
Gene: CASP6, MCH2, procaspase-6
Database cross-references and differences (RAF-indexed):
- Uniprot P55212
- engineered mutation (142)
Domains in SCOPe 2.07: d4n6gb_ - Heterogens: PO4, 2GQ, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>4n6gA (A:)
mgsafykremfdpaekykmdhrrrgialifnherffwhltlperrgtcadrdnltrrfsd
lgfevkcfndlkaeelllkihevstvshadadcfvcvflshgegnhiyaydakieiqtlt
glfkgdkchslvgkpkifiiqaargnqhdvpvipldvvdnqtekldtnitevdaasvytl
pagadflmcysvaegyyshretvngswyiqdlcemlgkygssleftelltlvnrkvsqrr
vdfckdpsaigkkqvpcfasmltkklhffpksngnshhhhhh
Sequence, based on observed residues (ATOM records): (download)
>4n6gA (A:)
fykremfdpaekykmdhrrrgialifnherffwhltlperrgtcadrdnltrrfsdlgfe
vkcfndlkaeelllkihevstvshadadcfvcvflshgegnhiyaydakieiqtltglfk
gdkchslvgkpkifiiqaargnqhdvpvipdtnitevdaasvytlpagadflmcysvaeg
yyshretvngswyiqdlcemlgkygssleftelltlvnrkvsqrrvdfckdpsaigkkqv
pcfasmltkklhffpks
- Chain 'B':
Sequence, based on SEQRES records: (download)
>4n6gB (B:)
mgsafykremfdpaekykmdhrrrgialifnherffwhltlperrgtcadrdnltrrfsd
lgfevkcfndlkaeelllkihevstvshadadcfvcvflshgegnhiyaydakieiqtlt
glfkgdkchslvgkpkifiiqaargnqhdvpvipldvvdnqtekldtnitevdaasvytl
pagadflmcysvaegyyshretvngswyiqdlcemlgkygssleftelltlvnrkvsqrr
vdfckdpsaigkkqvpcfasmltkklhffpksngnshhhhhh
Sequence, based on observed residues (ATOM records): (download)
>4n6gB (B:)
mfdpaekykmdhrrrgialifnherffwhltlperrgtcadrdnltrrfsdlgfevkcfn
dlkaeelllkihevstvshadadcfvcvflshgegnhiyaydakieiqtltglfkgdkch
slvgkpkifiiqaargnqtnitevdaasvytlpagadflmcysvaegyyshretvngswy
iqdlcemlgkygssleftelltlvnrkvsqrrvdfckdpsaigkkqvpcfasmltkklhf
fpk