PDB entry 4i5i

View 4i5i on RCSB PDB site
Description: Crystal structure of the SIRT1 catalytic domain bound to NAD and an EX527 analog
Class: hydrolase
Keywords: Rossmann Fold, histone deacetylase, epigenetics, cancer, sirtuin, acetylated lysine of histone, HYDROLASE
Deposited on 2012-11-28, released 2013-01-23
The last revision prior to the SCOPe 2.05 freeze date was dated 2014-11-12, with a file datestamp of 2014-11-07.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.169
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: NAD-dependent protein deacetylase sirtuin-1
    Species: Homo sapiens [TaxId:9606]
    Gene: SIRT1, SIR2L1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4i5ia_
  • Chain 'B':
    Compound: NAD-dependent protein deacetylase sirtuin-1
    Species: Homo sapiens [TaxId:9606]
    Gene: SIRT1, SIR2L1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4i5ib_
  • Heterogens: 4I5, NAD, ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4i5iA (A:)
malntiedavkllqeckkiivltgagvsvscgipdfrsrdgiyarlavdfpdlpdpqamf
dieyfrkdprpffkfakeiypgqfqpslchkfialsdkegkllrnytqnidtleqvagiq
riiqchgsfatasclickykvdceavrgdifnqvvprcprcpadeplaimkpeivffgen
lpeqfhramkydkdevdllivigsslkvrpvalipssiphevpqilinreplphlhfdve
llgdcdviinelchrlggeyaklccnpvklseitekppreghhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4i5iA (A:)
ntiedavkllqeckkiivltgagvsvscgipdfrsrdgiyarlavdfpdlpdpqamfdie
yfrkdprpffkfakeiypgqfqpslchkfialsdkegkllrnytqnidtleqvagiqrii
qchgsfatasclickykvdceavrgdifnqvvprcprcpadeplaimkpeivffgenlpe
qfhramkydkdevdllivigsslkvrpvalipssiphevpqilinreplphlhfdvellg
dcdviinelchrlggeyaklccnpvklseite

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4i5iB (B:)
malntiedavkllqeckkiivltgagvsvscgipdfrsrdgiyarlavdfpdlpdpqamf
dieyfrkdprpffkfakeiypgqfqpslchkfialsdkegkllrnytqnidtleqvagiq
riiqchgsfatasclickykvdceavrgdifnqvvprcprcpadeplaimkpeivffgen
lpeqfhramkydkdevdllivigsslkvrpvalipssiphevpqilinreplphlhfdve
llgdcdviinelchrlggeyaklccnpvklseitekppreghhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4i5iB (B:)
ntiedavkllqeckkiivltgagvsvscgipdfrsrdgiyarlavdfpdlpdpqamfdie
yfrkdprpffkfakeiypgqfqpslchkfialsdkegkllrnytqnidtleqvagiqrii
qchgsfatasclickykvdceavrgdifnqvvprcprcpadeplaimkpeivffgenlpe
qfhramkydkdevdllivigsslkvrpvalipssiphevpqilinreplphlhfdvellg
dcdviinelchrlggeyaklccnpvklseite