2BUU

crystal structure of protocatechuate 3,4-dioxygenase from acinetobacter sp. adp1 mutant r457s in complex with 4- nitrocatechol

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 280
  • Norm. En. per Res.: -5.2747
• Hub Node: A(1)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-182.605	-120.0323	-1174.27	-1476.9073	280	44	18	44637	16	77	62

Interface residues

• A-B: ALA132A, ALA26A, ALA307B, ALA309B, ALA319B, ALA321B, ALA335B, ALA340B, ALA348B, ALA368B, ALA402B, ALA467B, ALA471B, ALA503B, ALA73A, ALA83A, ARG117A, ARG133A, ARG142A, ARG166A, ARG167A, ARG188A, ARG311B, ARG330B, ARG385B, ARG390B, ARG407B, ARG409B, ARG428B, ARG450B, ARG473B, ARG501B, ARG502B, ARG528B, ARG530B, ARG531B, ARG64A, ARG94A, ASN136A, ASN193A, ASN27A, ASN312B, ASN334B, ASN34A, ASN361B, ASN366B, ASN394B, ASN403B, ASN412B, ASN537B, ASP155A, ASP199A, ASP315B, ASP354B, ASP360B, ASP362B, ASP36A, ASP386B, ASP413B, ASP468B, ASP524B, ASP538B, ASP57A, ASP65A, ASP84A, CYS426B, CYS489B, GLN11A, GLN122A, GLN190A, GLN25A, GLN310B, GLN387B, GLN401B, GLN414B, GLN41A, GLN472B, GLN477B, GLN499B, GLN500B, GLN72A, GLN82A, GLN86A, GLU162A, GLU192A, GLU194A, GLU29A, GLU314B, GLU32A, GLU341B, GLU345B, GLU398B, GLU4A, GLU536B, GLU69A, GLU7A, GLY116A, GLY119A, GLY134A, GLY138A, GLY13A, GLY14A, GLY191A, GLY20A, GLY306B, GLY357B, GLY389B, GLY406B, GLY424B, GLY425B, GLY427B, GLY469B, GLY529B, GLY58A, GLY60A, GLY77A, GLY87A, GLY91A, GLY93A, HIS125A, HIS140A, HIS18A, HIS316B, HIS33A, HIS350B, HIS410B, HIS460B, HIS462B, ILE126A, ILE129A, ILE130A, ILE135A, ILE137A, ILE161A, ILE189A, ILE19A, ILE200A, ILE28A, ILE304B, ILE337B, ILE339B, ILE466B, ILE475B, ILE486B, ILE491B, ILE495B, ILE505B, ILE525B, ILE68A, ILE70A, LEU128A, LEU139A, LEU158A, LEU170A, LEU21A, LEU22A, LEU329B, LEU336B, LEU343B, LEU35A, LEU363B, LEU365B, LEU396B, LEU39A, LEU430B, LEU465B, LEU474B, LEU492B, LEU504B, LEU527B, LEU539B, LEU59A, LEU5A, LEU61A, LEU63A, LEU67A, LEU90A, LYS118A, LYS24A, LYS325B, LYS333B, LYS355B, LYS359B, LYS369B, LYS493B, LYS6A, MET419B, MET429B, PHE131A, PHE197A, PHE198A, PHE31A, PHE351B, PHE356B, PHE388B, PHE423B, PHE463B, PHE478B, PHE523B, PHE56A, PHE89A, PHE99A, PRO115A, PRO156A, PRO15A, PRO23A, PRO317B, PRO318B, PRO322B, PRO332B, PRO349B, PRO358B, PRO411B, PRO448B, PRO458B, PRO490B, PRO496B, PRO62A, PRO80A, PRO9A, SER10A, SER120A, SER127A, SER160A, SER327B, SER331B, SER338B, SER344B, SER352B, SER457B, SER464B, SER476B, SER497B, SER81A, THR12A, THR141A, THR169A, THR195A, THR313B, THR326B, THR342B, THR347B, THR494B, THR526B, THR533B, THR540B, THR85A, THR8A, TRP163A, TRP305B, TRP400B, TRP449B, TRP470B, TRP71A, TRP92A, TYR144A, TYR16A, TYR308B, TYR320B, TYR324B, TYR367B, TYR408B, TYR415B, TYR447B, TYR479B, TYR79A, VAL114A, VAL157A, VAL17A, VAL196A, VAL30A, VAL328B, VAL346B, VAL384B, VAL397B, VAL399B, VAL55A, VAL66A, VAL78A, VAL88A