PDB entry 3ie3
View 3ie3 on RCSB PDB site
Description: Structural basis for the binding of the anti-cancer compound 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX) to human glutathione S-transferases
Class: transferase/transferase inhibitor
Keywords: detoxification, multidrug resistance, cancer treatment, Phosphoprotein, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on
2009-07-22, released
2009-10-27
The last revision prior to the SCOPe 2.04 freeze date was dated
2011-12-14, with a file datestamp of
2011-12-09.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: 0.18
AEROSPACI score: 0.38
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: Glutathione S-transferase P
Species: Homo sapiens [TaxId:9606]
Gene: GSTP1
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.04: d3ie3a1, d3ie3a2 - Chain 'B':
Compound: Glutathione S-transferase P
Species: Homo sapiens [TaxId:9606]
Gene: GSTP1
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.04: d3ie3b1, d3ie3b2 - Heterogens: GSH, N11, MES, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence; same for both SEQRES and ATOM records: (download)
>3ie3A (A:)
ppytvvyfpvrgrcaalrmlladqgqswkeevvtvetwqegslkasclygqlpkfqdgdl
tlyqsntilrhlgrtlglygkdqqeaalvdmvndgvedlrckyasliytnyeagkddyvk
alpgqlkpfetllsqnqggktfivgdqisfadynlldlllihevlapgcldafpllsayv
grlsarpklkaflaspeyvnlpingngkq
- Chain 'B':
Sequence, based on SEQRES records: (download)
>3ie3B (B:)
ppytvvyfpvrgrcaalrmlladqgqswkeevvtvetwqegslkasclygqlpkfqdgdl
tlyqsntilrhlgrtlglygkdqqeaalvdmvndgvedlrckyasliytnyeagkddyvk
alpgqlkpfetllsqnqggktfivgdqisfadynlldlllihevlapgcldafpllsayv
grlsarpklkaflaspeyvnlpingngkq
Sequence, based on observed residues (ATOM records): (download)
>3ie3B (B:)
pytvvyfpvrgrcaalrmlladqgqswkeevvtvetwqegslkasclygqlpkfqdgdlt
lyqsntilrhlgrtlglygkdqqeaalvdmvndgvedlrckyasliytnyeagkddyvka
lpgqlkpfetllsqnqggktfivgdqisfadynlldlllihevlapgcldafpllsayvg
rlsarpklkaflaspeyvnlpingngkq