2IPI

crystal structure of aclacinomycin oxidoreductase

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 163
  • Norm. En. per Res.: -2.519
• 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	-189.2894	-56.8326	41.7692	-204.3528	162	113	5	14063	4	59	49
B-D	0.0	16.9416	-16.1317	0.8099	19	0	0	495	0	4	6
C-D	-116.1692	-51.4419	-242.982	-410.5931	163	58	6	13575	4	57	49

Interface residues

• A-B: ALA108A, ALA108B, ALA10A, ALA10B, ALA116A, ALA116B, ALA225A, ALA225B, ALA328A, ALA328B, ALA331A, ALA331B, ARG115A, ARG115B, ARG150A, ARG150B, ARG19A, ARG19B, ARG20A, ARG20B, ARG27A, ARG27B, ARG327A, ARG327B, ARG34A, ARG34B, ARG91A, ARG91B, ASN30A, ASN30B, ASN332A, ASN332B, ASP120A, ASP120B, ASP15A, ASP15B, ASP18A, ASP18B, ASP23A, ASP23B, ASP291A, ASP291B, ASP335A, ASP335B, ASP340A, ASP340B, ASP86A, ASP86B, GLN132A, GLN132B, GLN22A, GLN22B, GLN89A, GLN89B, GLN92A, GLN92B, GLU112A, GLU112B, GLU323A, GLU323B, GLY107A, GLY107B, GLY111B, GLY122A, GLY122B, GLY28A, GLY28B, GLY293A, GLY31A, GLY31B, GLY337A, GLY337B, GLY338A, GLY338B, HIS44A, HIS44B, LEU117A, LEU117B, LEU119A, LEU119B, LEU11A, LEU11B, LEU24A, LEU24B, LEU326A, LEU326B, LEU330A, LEU330B, LYS13A, LYS13B, LYS224A, LYS224B, LYS333A, LYS333B, MET87A, MET87B, MET90A, MET90B, PHE102A, PHE102B, PHE29A, PHE29B, PHE334A, PHE334B, PHE94A, PHE94B, PRO218A, PRO218B, PRO223A, PRO223B, PRO226A, PRO226B, PRO324A, PRO324B, SER219A, SER219B, SER228A, SER228B, SER88A, SER88B, SER97A, THR109A, THR109B, THR124A, THR124B, THR227A, THR227B, THR26A, THR26B, THR322A, THR322B, THR329A, THR329B, THR336A, THR336B, TRP121A, TRP121B, TRP325A, TRP325B, TYR114B, TYR118A, TYR118B, TYR21A, TYR21B, TYR95A, TYR95B, VAL123A, VAL123B, VAL12A, VAL12B, VAL14A, VAL14B, VAL25A, VAL25B, VAL40A, VAL40B, VAL42A, VAL42B, VAL43A, VAL43B, VAL93A, VAL93B
• B-D: ARG248B, ARG248D, ASN309B, ASN309D, GLU244B, GLU244D, GLU310B, GLU310D, GLU315B, GLU315D, GLY311B, GLY311D, GLY313B, GLY313D, THR242B, THR312B, THR312D, VAL314B, VAL314D
• C-D: ALA108C, ALA10C, ALA10D, ALA116C, ALA116D, ALA225C, ALA225D, ALA328C, ALA328D, ALA331C, ALA331D, ARG115C, ARG115D, ARG150C, ARG150D, ARG19C, ARG19D, ARG20C, ARG20D, ARG27C, ARG27D, ARG327C, ARG327D, ARG34C, ARG34D, ARG66D, ARG91C, ARG91D, ASN30C, ASN332C, ASN332D, ASP120C, ASP120D, ASP15C, ASP15D, ASP18C, ASP18D, ASP217C, ASP23C, ASP23D, ASP291C, ASP291D, ASP335C, ASP335D, ASP340C, ASP340D, ASP86C, ASP86D, GLN132C, GLN132D, GLN220D, GLN22C, GLN22D, GLN89C, GLN89D, GLN92C, GLN92D, GLU112C, GLU112D, GLU323C, GLU323D, GLY107C, GLY107D, GLY111C, GLY122C, GLY122D, GLY28C, GLY28D, GLY293C, GLY293D, GLY31C, GLY31D, GLY337C, GLY338C, GLY338D, HIS44C, HIS44D, LEU117C, LEU117D, LEU119C, LEU119D, LEU11C, LEU11D, LEU147C, LEU24C, LEU24D, LEU326C, LEU326D, LEU330C, LEU330D, LYS13C, LYS13D, LYS224C, LYS224D, LYS333C, LYS333D, MET87C, MET87D, MET90C, MET90D, PHE102C, PHE102D, PHE29C, PHE29D, PHE334C, PHE334D, PHE94C, PHE94D, PRO218C, PRO218D, PRO223C, PRO223D, PRO226C, PRO226D, PRO324C, PRO324D, SER219C, SER219D, SER228C, SER228D, SER88C, SER88D, THR109C, THR109D, THR113C, THR113D, THR124C, THR124D, THR227C, THR227D, THR26C, THR26D, THR322C, THR329C, THR329D, THR336C, THR336D, TRP121C, TRP121D, TRP325C, TRP325D, TYR114D, TYR118C, TYR118D, TYR21C, TYR21D, TYR95C, TYR95D, VAL123C, VAL123D, VAL12C, VAL14C, VAL14D, VAL25C, VAL25D, VAL40C, VAL40D, VAL42C, VAL42D, VAL43C, VAL43D, VAL93C, VAL93D