2025-02-08_00000228
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ligand
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9DQ2
Crystal structure of HrmJ from Streptomyces sp. CFMR 7 (HrmJ-ssc) complexed with vanadyl(IV)-oxo, succinate and 6-nitronorleucine;
X-ray diffraction 1.55Å
Protein #1
236 residues (96% resolved)
Raw Sequence ...
MPLGTEGFTVIDLPEVAPDILPSYDRCPVDDYMGNGTRFKRFSQYKLTPAEDDTWSFKRLPHRDYTTYKKFNPVGGGIRRVYEPIEVDFTPLISEGIRELGLDRSEPWQINVHQNRTRADGGRPGPLTPEGVHHDGHEFVMIAILNKVNVAGGTTRLWKPGADAPFWSGTLEAGQAVLLDDRGLAHDVTDVLSADGGPGHRDIVIIAFSRWAEKWYGDEHDAAALEEQEAHHHHHH
Canonical Sequence ...
MPLGTEGFTVIDLPEVAPDILPSYDRCPVDDYMGNGTRFKRFSQYKLTPAEDDTWSFKRLPHRDYTTYKKFNPVGGGIRRVYEPIEVDFTPLISEGIRELGLDRSEPWQINVHQNRTRADGGRPGPLTPEGVHHDGHEFVMIAILNKVNVAGGTTRLWKPGADAPFWSGTLEAGQAVLLDDRGLAHDVTDVLSADGGPGHRDIVIIAFSRWAEKWYGDEHDAAALEEQEAHHHHHH
Non polymer #2
6HN
InChI=1S/C6H12N2O4/c7-5(6(9)10)3-1-2-4-8(11)12/h5H,1-4,7H2,(H,9,10)/t5-/m0/s1
InChI=1S/C6H12N2O4/c7-5(6(9)10)3-1-2-4-8(11)12/h5H,1-4,7H2,(H,9,10)/t5-/m0/s1
SMILES: C(CC[N+](=O)[O-])C[C@@H](C(=O)O)N
C(CC[N+](=O)[O-])C[C@@H](C(=O)O)N
Non polymer #3
BR
InChI=1S/BrH/h1H/p-1
InChI=1S/BrH/h1H/p-1
SMILES: [Br-]
[Br-]
Non polymer #4
SIN
InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
SMILES: C(CC(=O)O)C(=O)O
C(CC(=O)O)C(=O)O
Non polymer #5
VVO
InChI=1S/O.V/q;+2
InChI=1S/O.V/q;+2
SMILES: O=[V+2]
O=[V+2]
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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