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Structure paper

TitleCrystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
Journal, issue, pagesJ. Mol. Biol., Vol. 345, Page 521-533, Year 2005
Publish dateJun 30, 2003 (structure data deposition date)
AuthorsSilvaggi, N.R. / Josephine, H.R. / Kuzin, A.P. / Nagarajan, R. / Pratt, R.F. / Kelly, J.A.
External linksJ. Mol. Biol. / PubMed:15581896
MethodsX-ray diffraction
Resolution1.074 - 1.3 Å
Structure data

PDB-1pw1:
Non-Covalent Complex Of Streptomyces R61 DD-Peptidase With A Highly Specific Penicillin
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-1pw8:
Covalent Acyl Enzyme Complex Of The R61 DD-Peptidase with A Highly Specific Cephalosporin
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-1pwc:
penicilloyl acyl enzyme complex of the Streptomyces R61 DD-peptidase with penicillin G
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-1pwd:
Covalent acyl enzyme complex of the Streptomyces R61 DD-peptidase with cephalosporin C
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-1pwg:
Covalent Penicilloyl Acyl Enzyme Complex Of The Streptomyces R61 DD-Peptidase With A Highly Specific Penicillin
Method: X-RAY DIFFRACTION / Resolution: 1.074 Å

Chemicals

ChemComp-HEL:
(2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE

ChemComp-GOL:
GLYCEROL

ChemComp-FOR:
FORMYL GROUP

ChemComp-HOH:
WATER

ChemComp-H2A:
(6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE

ChemComp-PNM:
OPEN FORM - PENICILLIN G / antibiotic*YM

ChemComp-0MU:
(2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid / antibiotic*YM

ChemComp-HE0:
(2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Source
  • streptomyces sp. (bacteria)
KeywordsHYDROLASE / BETA-LACTAM / ANTIBIOTICS / PENICILLIN BINDING PROTEIN / ENZYME / PEPTIDOGLYCAN / HYDROLASE/Antibiotic / HYDROLASE-Antibiotic complex

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