1MPY

structure of catechol 2,3-dioxygenase (metapyrocatechase) from pseudomonas putida mt-2

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 90
  • Norm. En. per Res.: -5.281
• Hub Node: A(3)

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	-34.3501	-141.6089	-299.334	-475.293	90	20	0	10323	8	45	33
A-C	-134.3362	-124.7066	-439.854	-698.8968	176	33	2	17085	13	74	67
A-D	0.0	64.6193	-129.053	-64.4337	67	1	0	4456	0	24	29
B-C	0.0	60.5277	-119.345	-58.8173	63	2	0	4249	0	24	29
B-D	-129.0151	-109.725	-450.057	-688.7972	173	30	2	16998	12	73	68
C-D	-16.8779	-121.3831	-283.314	-421.575	87	12	0	9903	7	44	32

Interface residues

• A-B: ALA228A, ALA228B, ALA229A, ALA229B, ARG227A, ARG227B, ARG245A, ARG245B, ARG296A, ARG296B, ARG301A, ARG301B, ASN299B, ASP224A, ASP224B, ASP230A, ASP230B, ASP236A, ASP236B, ASP240A, ASP240B, ASP295A, ASP295B, CYS268A, CYS268B, GLN286A, GLN286B, GLU223A, GLU223B, GLY242A, GLY242B, GLY247B, GLY251A, GLY251B, GLY269A, GLY269B, HIS246A, HIS246B, HIS250A, HIS250B, HIS294A, HIS294B, ILE232A, ILE232B, ILE239A, ILE239B, ILE241A, ILE241B, ILE254A, ILE254B, ILE297A, ILE297B, LEU225A, LEU225B, LEU226A, LEU226B, LEU231A, LEU231B, LYS252A, LYS252B, LYS289A, LYS289B, MET234A, MET234B, PHE256A, PHE256B, PHE292A, PHE292B, PRO243A, PRO243B, SER233A, SER233B, SER238A, SER238B, THR221A, THR221B, THR235A, THR235B, THR237A, THR237B, THR244A, THR244B, THR253A, THR253B, TRP222A, TRP222B, TRP282A, TRP282B, TYR293A, TYR293B
• A-C: ALA121A, ALA121C, ALA138A, ALA138C, ALA198A, ALA198C, ALA290A, ALA290C, ALA46A, ALA46C, ARG141A, ARG150A, ARG150C, ARG245A, ARG245C, ARG296A, ARG296C, ARG7A, ARG7C, ASN132A, ASN132C, ASN135A, ASN135C, ASN273A, ASN273C, ASN2A, ASN2C, ASP122A, ASP122C, ASP133A, ASP133C, ASP152A, ASP152C, ASP200A, ASP200C, ASP271A, ASP271C, ASP276A, ASP276C, ASP285A, ASP285C, ASP51A, ASP51C, ASP74A, ASP74C, CYS268A, CYS268C, GLN179A, GLN179C, GLN286A, GLN286C, GLU137A, GLU137C, GLU178A, GLU178C, GLU220A, GLU220C, GLU223A, GLU223C, GLU49A, GLU49C, GLY127A, GLY127C, GLY247A, GLY247C, GLY251A, GLY251C, GLY269A, GLY269C, GLY270A, GLY270C, GLY4A, GLY4C, HIS218A, HIS218C, HIS246A, HIS246C, HIS250A, HIS250C, HIS277A, HIS277C, HIS294A, HIS294C, LEU131A, LEU131C, LEU181A, LEU181C, LEU194A, LEU194C, LEU248A, LEU248C, LEU287A, LEU287C, LYS123A, LYS123C, LYS128A, LYS128C, LYS197A, LYS197C, LYS252A, LYS252C, LYS278A, LYS278C, LYS289A, LYS289C, LYS3A, LYS71A, LYS71C, MET1A, MET1C, MET6A, MET6C, PHE151A, PHE151C, PRO136A, PRO136C, PRO275A, PRO275C, PRO279A, PRO279C, PRO8A, PRO8C, SER195A, SER195C, THR126A, THR126C, THR196A, THR196C, THR221A, THR221C, THR249A, THR249C, THR281A, THR281C, THR283A, THR283C, THR284A, THR284C, THR48A, THR48C, TRP139A, TRP139C, TRP222A, TRP222C, TRP282A, TRP282C, TRP47A, TRP47C, TYR120A, TYR120C, TYR125A, TYR125C, TYR175A, TYR175C, TYR272A, TYR272C, TYR274A, TYR274C, TYR293A, TYR293C, VAL134A, VAL134C, VAL149A, VAL149C, VAL180A, VAL180C, VAL280A, VAL280C, VAL50A, VAL50C, VAL5A, VAL5C, VAL72A, VAL72C, VAL73A, VAL73C
• A-D: ALA138A, ALA138D, ALA147A, ALA147D, ALA228A, ALA228D, ALA229A, ALA229D, ARG141A, ARG141D, ARG227A, ARG227D, ASP142D, ASP224A, ASP224D, ASP230A, ASP230D, ASP236A, ASP236D, GLU137A, GLU137D, GLU220A, GLU220D, GLU223A, GLU223D, GLU27A, GLU27D, GLY130D, GLY145A, GLY145D, GLY30A, ILE232A, ILE232D, LEU131A, LEU131D, LEU143A, LEU143D, LEU225A, LEU225D, LEU226A, LEU226D, LEU231A, LEU231D, LEU28A, LEU28D, LEU29A, LYS144A, LYS144D, MET146A, MET146D, MET234A, MET234D, PRO136A, PRO136D, PRO140A, PRO140D, SER233A, SER233D, THR221A, THR221D, THR235A, THR235D, TRP139A, TRP139D, TRP222A, TRP222D, VAL26A
• B-C: ALA138B, ALA138C, ALA228B, ALA228C, ALA229B, ALA229C, ARG141B, ARG141C, ARG227B, ARG227C, ASP142B, ASP142C, ASP224B, ASP224C, ASP230B, ASP230C, ASP236B, ASP236C, GLU137B, GLU137C, GLU220B, GLU220C, GLU223B, GLU223C, GLU27B, GLU27C, GLY145B, GLY145C, GLY30C, ILE232B, ILE232C, LEU131B, LEU131C, LEU143B, LEU225B, LEU225C, LEU226B, LEU226C, LEU231B, LEU231C, LEU28B, LEU28C, LYS144B, LYS144C, MET146B, MET146C, MET234B, MET234C, PRO136B, PRO136C, PRO140B, PRO140C, SER233B, SER233C, THR221B, THR221C, THR235B, THR235C, TRP139B, TRP139C, TRP222B, TRP222C, VAL26C
• B-D: ALA121B, ALA121D, ALA138B, ALA138D, ALA290B, ALA290D, ALA46B, ALA46D, ARG141B, ARG150B, ARG150D, ARG245B, ARG245D, ARG296B, ARG296D, ARG7B, ARG7D, ASN132B, ASN132D, ASN135B, ASN135D, ASN273B, ASN273D, ASN2B, ASN2D, ASP122B, ASP122D, ASP133B, ASP133D, ASP152B, ASP152D, ASP200B, ASP200D, ASP271B, ASP271D, ASP276B, ASP276D, ASP285B, ASP285D, ASP51B, ASP51D, ASP74B, ASP74D, CYS268B, CYS268D, GLN179B, GLN179D, GLN286B, GLN286D, GLU137B, GLU137D, GLU178B, GLU178D, GLU220B, GLU220D, GLU223B, GLU223D, GLU49B, GLU49D, GLY127B, GLY127D, GLY247B, GLY247D, GLY251B, GLY251D, GLY269B, GLY269D, GLY270B, GLY270D, GLY4B, GLY4D, HIS218B, HIS218D, HIS246B, HIS246D, HIS250B, HIS250D, HIS277B, HIS277D, HIS294B, HIS294D, LEU131B, LEU131D, LEU181B, LEU181D, LEU194B, LEU194D, LEU248B, LEU248D, LEU287B, LEU287D, LYS123B, LYS123D, LYS128B, LYS128D, LYS197B, LYS197D, LYS252B, LYS252D, LYS278B, LYS278D, LYS289B, LYS289D, LYS3B, LYS71B, LYS71D, MET1B, MET1D, MET6B, MET6D, PHE151B, PHE151D, PRO136B, PRO136D, PRO275B, PRO275D, PRO279B, PRO279D, PRO8B, PRO8D, SER195B, SER195D, THR126D, THR196B, THR196D, THR221B, THR221D, THR249B, THR249D, THR281B, THR281D, THR283B, THR283D, THR284B, THR284D, THR48B, THR48D, TRP139B, TRP139D, TRP222B, TRP222D, TRP282B, TRP282D, TRP47B, TRP47D, TYR120B, TYR120D, TYR125B, TYR125D, TYR175B, TYR175D, TYR272B, TYR272D, TYR274B, TYR274D, TYR293B, TYR293D, VAL134B, VAL134D, VAL149B, VAL149D, VAL180B, VAL180D, VAL280B, VAL280D, VAL50B, VAL50D, VAL5B, VAL5D, VAL72B, VAL72D, VAL73B, VAL73D
• C-D: ALA228C, ALA228D, ALA229C, ALA229D, ARG227C, ARG227D, ARG245C, ARG245D, ARG296C, ARG296D, ARG301C, ARG301D, ASP224C, ASP224D, ASP230C, ASP230D, ASP236C, ASP236D, ASP240C, ASP240D, ASP295C, ASP295D, CYS268C, CYS268D, GLN286C, GLN286D, GLU223C, GLU223D, GLY242C, GLY242D, GLY251C, GLY251D, GLY269C, GLY269D, HIS246C, HIS250C, HIS250D, HIS294C, HIS294D, ILE232C, ILE232D, ILE239C, ILE239D, ILE241C, ILE241D, ILE254C, ILE254D, ILE297C, ILE297D, LEU225C, LEU225D, LEU226C, LEU226D, LEU231C, LEU231D, LYS252C, LYS252D, LYS289C, LYS289D, MET234C, MET234D, PHE256C, PHE256D, PHE292C, PHE292D, PRO243C, PRO243D, SER233C, SER233D, SER238C, SER238D, THR221C, THR221D, THR235C, THR235D, THR237C, THR237D, THR244C, THR244D, THR253C, THR253D, TRP222C, TRP222D, TRP282C, TRP282D, TYR293C, TYR293D