PDB entry 4de1
View 4de1 on RCSB PDB site
Description: CTX-M-9 class A beta-lactamase complexed with compound 18
Class: Hydrolase/hydrolase inhibitor
Keywords: CTX-M, beta-lactamase, molecular docking, fragment, Hydrolase-hydrolase inhibitor complex
Deposited on
2012-01-19, released
2012-03-28
The last revision prior to the SCOPe 2.03 freeze date was dated
2012-03-28, with a file datestamp of
2012-03-23.
Experiment type: XRAY
Resolution: 1.26 Å
R-factor: 0.125
AEROSPACI score: 0.84
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: Beta-lactamase
Species: Escherichia coli [TaxId:562]
Gene: blaCTX-M-9, blaCTX-M-9a, blaCTX-M-9b, CTX-M
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.03: d4de1a_ - Chain 'B':
Compound: Beta-lactamase
Species: Escherichia coli [TaxId:562]
Gene: blaCTX-M-9, blaCTX-M-9a, blaCTX-M-9b, CTX-M
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.03: d4de1b_ - Heterogens: 0J6, DMS, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence; same for both SEQRES and ATOM records: (download)
>4de1A (A:)
etsavqqklaalekssggrlgvalidtadntqvlyrgderfpmcstskvmaaaavlkqse
tqkqllnqpveikpadlvnynpiaekhvngtmtlaelsaaalqysdntamnkliaqlggp
ggvtafaraigdetfrldrteptlntaipgdprdtttpramaqtlrqltlghalgetqra
qlvtwlkgnttgaasiraglptswtagdktgsgdygttndiaviwpqgraplvlvtyftq
pqqnaesrrdvlasaariiaegl
- Chain 'B':
Sequence, based on SEQRES records: (download)
>4de1B (B:)
etsavqqklaalekssggrlgvalidtadntqvlyrgderfpmcstskvmaaaavlkqse
tqkqllnqpveikpadlvnynpiaekhvngtmtlaelsaaalqysdntamnkliaqlggp
ggvtafaraigdetfrldrteptlntaipgdprdtttpramaqtlrqltlghalgetqra
qlvtwlkgnttgaasiraglptswtagdktgsgdygttndiaviwpqgraplvlvtyftq
pqqnaesrrdvlasaariiaegl
Sequence, based on observed residues (ATOM records): (download)
>4de1B (B:)
savqqklaalekssggrlgvalidtadntqvlyrgderfpmcstskvmaaaavlkqsetq
kqllnqpveikpadlvnynpiaekhvngtmtlaelsaaalqysdntamnkliaqlggpgg
vtafaraigdetfrldrteptlntaipgdprdtttpramaqtlrqltlghalgetqraql
vtwlkgnttgaasiraglptswtagdktgsgdygttndiaviwpqgraplvlvtyftqpq
qnaesrrdvlasaariiaegl