2VRC

crystal structure of the citrobacter sp. triphenylmethane reductase complexed with nadp(h)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 91
  • Norm. En. per Res.: -4.168
• 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	-23.6857	-88.1547	-267.448	-379.2884	91	17	16	11207	8	20	30
A-C	0.0	0.0	-0.0164	-0.0164	2	0	0	5	0	0	1
A-D	-4.4215	12.7956	-66.6655	-58.2914	44	3	0	2744	0	14	20
B-C	0.0	0.0	-0.3876	-0.3876	3	0	0	27	0	3	3
B-D	-32.0629	-13.0125	-165.559	-210.6345	112	14	3	7698	1	25	27
C-D	-16.0097	-74.811	-263.902	-354.7227	91	13	16	11098	7	19	30

Interface residues

• A-B: ALA110A, ALA110B, ALA118A, ALA118B, ALA123A, ALA123B, ALA127A, ALA127B, ALA88A, ALA88B, ALA93A, ALA93B, ALA94A, ALA94B, ARG129A, ARG129B, ARG139B, ARG95A, ARG95B, ASN132A, ASN132B, ASN55A, ASN55B, ASN80A, ASN80B, ASN89A, ASN89B, ASP79A, ASP79B, ASP96A, ASP96B, GLN86A, GLN86B, GLU111A, GLU111B, GLU112B, GLU125A, GLU125B, HIS119A, HIS119B, HIS121A, HIS121B, HIS77A, HIS77B, HIS87A, HIS87B, ILE102B, ILE115B, ILE128A, ILE128B, ILE133A, ILE133B, ILE84A, ILE84B, LEU117A, LEU117B, LEU122A, LEU122B, LEU82A, LEU82B, LEU83A, LEU83B, LYS92A, LYS92B, PRO116A, PRO116B, PRO57A, PRO57B, SER113B, THR124A, THR124B, THR130A, THR130B, THR131A, THR131B, THR81A, THR81B, TYR126A, TYR126B, TYR135A, TYR135B, TYR78A, TYR78B, VAL120A, VAL120B, VAL85A, VAL85B, VAL90A, VAL90B, VAL91A, VAL91B
• A-C: GLN56C, GLU58A
• A-D: ALA39D, ALA63D, ALA65A, ALA65D, ALA93A, ALA94A, ALA97A, ARG129A, ARG34D, ARG50D, ARG95A, ASN132A, ASN35D, ASP53D, ASP96A, GLN56D, GLN61A, GLN61D, GLU37D, GLU48D, GLU58A, GLU58D, GLY52D, GLY66A, GLY98A, HIS51D, ILE133A, LEU60D, LYS100A, LYS38D, LYS62D, LYS92A, PHE64A, PRO134A, PRO57A, PRO57D, SER59D, THR130A, THR131A, VAL33D, VAL36D, VAL49D, VAL67A, VAL99A
• B-C: GLN56B, GLU58C, LYS62C
• B-D: ALA154B, ALA154D, ALA160B, ALA238B, ALA238D, ALA245B, ALA245D, ALA249B, ALA250B, ALA39D, ALA8D, ARG153B, ARG153D, ARG175D, ARG34D, ASN149B, ASN149D, ASN176D, ASN233B, ASN237B, ASN237D, ASN35D, ASN55D, ASN80B, ASP145D, ASP253B, ASP53D, ASP79B, GLN11D, GLN18D, GLN224B, GLN56D, GLN86D, GLU150B, GLU150D, GLU157B, GLU157D, GLU229B, GLU230B, GLU231B, GLU242B, GLU246B, GLU37D, GLU58D, GLY10D, GLY13D, GLY14D, GLY151B, GLY151D, GLY239B, GLY239D, GLY52D, GLY75D, GLY7D, HIS51D, HIS77B, HIS77D, ILE114B, ILE115B, ILE247B, ILE247D, ILE251B, ILE251D, ILE73D, LEU117B, LEU12D, LEU152B, LEU15D, LEU42D, LEU82B, LYS219B, LYS232B, LYS257B, LYS38D, PHE146D, PHE147D, PHE228B, PHE234B, PHE234D, PHE244B, PHE244D, PRO116B, PRO241B, PRO241D, PRO243B, PRO243D, PRO76D, SER155B, SER158B, SER40D, SER59D, SER74D, THR144D, THR156B, THR248B, THR248D, THR41D, THR81B, THR9D, TYR143D, TYR54D, TYR78B, TYR78D, VAL148D, VAL162B, VAL226B, VAL236B, VAL236D, VAL240B, VAL240D, VAL33D, VAL36D
• C-D: ALA110C, ALA110D, ALA118C, ALA118D, ALA123C, ALA123D, ALA127C, ALA127D, ALA88C, ALA88D, ALA93C, ALA93D, ALA94C, ALA94D, ARG129C, ARG129D, ARG139C, ARG95C, ARG95D, ASN132C, ASN132D, ASN55C, ASN55D, ASN80C, ASN80D, ASN89C, ASN89D, ASP79C, ASP79D, ASP96C, ASP96D, GLN86C, GLN86D, GLU111C, GLU111D, GLU112C, GLU112D, GLU125C, GLU125D, HIS119C, HIS119D, HIS121C, HIS121D, HIS77C, HIS87C, HIS87D, ILE102D, ILE115D, ILE128C, ILE133C, ILE133D, ILE84C, ILE84D, LEU117C, LEU117D, LEU122C, LEU122D, LEU82C, LEU82D, LEU83C, LEU83D, LYS92C, LYS92D, PRO116C, PRO116D, PRO57C, PRO57D, SER113D, THR124C, THR124D, THR128D, THR130C, THR130D, THR131C, THR131D, THR81C, THR81D, TYR126C, TYR126D, TYR135C, TYR135D, TYR78C, TYR78D, VAL120C, VAL120D, VAL85C, VAL85D, VAL90C, VAL90D, VAL91C, VAL91D