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Ligand · WAA

WAA · (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid

WAA, (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid (C31 H40 N2 O3, 488.7 g/mol), in the MolNFT structures on GenesisL1: bound in 14…

Component
WAA
Formula
C31 H40 N2 O3
Class
ligand
Structures
14
PDB entries
7

Binding sites

WAA in 14 structures; the first of them:

  • 6JLV · Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan · WAA A502 · binds LEU20, PRO25, VAL26, LEU29, ARG47, TYR51, SER72, GLN73 and 10 more
  • 6JMH · Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with… · WAA A502 · binds LEU20, PRO25, VAL26, LEU29, ARG47, TYR51, SER72, GLN73 and 10 more
  • 6JMW · Structure of the Chromium Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with… · WAA A502 · binds LEU20, PRO25, VAL26, LEU29, ARG47, TYR51, SER72, GLN73 and 10 more
  • 6JVC · Structure of the Cobalt Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with… · WAA A501 · binds LEU20, PRO25, VAL26, LEU29, ARG47, TYR51, SER72, GLN73 and 10 more
  • 6JZS · Structure of the Manganese Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with… · WAA A502 · binds LEU20, PRO25, VAL26, LEU29, ARG47, TYR51, SER72, GLN73 and 9 more
  • 6K24 · Structure of the Rhodium Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with… · WAA A501 · binds LEU20, PRO25, VAL26, LEU29, ARG47, TYR51, SER72, GLN73 and 9 more
  • 6K9S · Structure of the Carbonylruthenium Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain… · WAA A509 · binds LEU17, LEU20, PRO25, VAL26, LEU29, ARG47, TYR51, SER72 and 12 more
  • 6JLV · Near-atomic resolution structure of the CYP102A1 haem domain with N- abietoyl-L-tryptophan · WAA A502 · binds LEU20, PRO25, VAL26, LEU29, ARG47, TYR51, SER72, GLN73 and 10 more
  • 6JMH · Structure of the oxomolybdenum mesoporphyrin IX-reconstituted CYP102A1 haem domain with… · WAA A502 · binds LEU20, PRO25, VAL26, LEU29, ARG47, TYR51, SER72, GLN73 and 10 more
  • 6JMW · Structure of the chromium protoporphyrin IX-reconstituted CYP102A1 haem domain with… · WAA A502 · binds LEU20, PRO25, VAL26, LEU29, ARG47, TYR51, SER72, GLN73 and 10 more
  • 6JVC · Structure of the cobalt protoporphyrin IX-reconstituted CYP102A1 haem domain with… · WAA A501 · binds LEU20, PRO25, VAL26, LEU29, ARG47, TYR51, SER72, GLN73 and 10 more
  • 6JZS · Structure of the manganese protoporphyrin IX-reconstituted CYP102A1 haem domain with… · WAA A502 · binds LEU20, PRO25, VAL26, LEU29, ARG47, TYR51, SER72, GLN73 and 9 more
  • 6K24 · Structure of the rhodium mesoporphyrin IX-reconstituted CYP102A1 haem domain with… · WAA A501 · binds LEU20, PRO25, VAL26, LEU29, ARG47, TYR51, SER72, GLN73 and 9 more
  • 6K9S · Structure of the carbonylruthenium mesoporphyrin IX-reconstituted CYP102A1 haem domain… · WAA A509 · binds LEU17, LEU20, PRO25, VAL26, LEU29, ARG47, TYR51, SER72 and 12 more

Residues it binds most

LEU 28, ALA 28, MET 28, PRO 28, VAL 28, ARG 28, GLN 28, PHE 28, SER 28, TYR 28 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol
  • DMS · Dimethyl sulfoxide
  • 0PY · pyridine
  • BW9 · Chromium Protoporphyrin IX
  • COH · Protoporphyrin IX containing co
  • CV0 · MESOPORPHYRIN IX CONTAINING Rh
  • HEM · Protoporphyrin IX containing Fe
  • MI9 · Oxomolybdenum Mesoporphyrin IX
  • MNH · Manganese protoporphyrin IX
  • RUR · [3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2, 18-diyl-kappa~4~n~21~,n~22~,n~23~,n~24~) dipropanoato(2-)]ruthenium
  • MG · Magnesium ion

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