3OID

crystal structure of enoyl-acp reductases iii (fabl) from b. subtilis (complex with nadp and tcl)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 146
  • Norm. En. per Res.: -4.4495
• 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	-51.5682	-37.5016	-345.519	-434.5888	138	7	10	14557	2	31	27
A-C	-49.0846	0.0	-133.528	-182.6126	49	8	10	5841	0	3	4
A-D	-83.588	-40.4034	-511.524	-635.5155	147	14	24	18451	6	31	26
B-C	-96.3229	-40.5823	-512.723	-649.6282	146	12	24	18520	6	31	26
B-D	-46.6292	0.0	-164.261	-210.8902	59	8	10	6613	0	3	4
C-D	-37.164	-34.3738	-351.523	-423.0608	138	6	10	14670	2	31	27

Interface residues

• A-B: ALA163A, ALA163B, ALA169A, ALA169B, ALA186A, ALA186B, ALA205A, ALA205B, ALA211A, ALA211B, ALA232A, ALA232B, ARG146A, ARG146B, ARG166A, ARG166B, ARG213A, ARG213B, ARG236A, ARG236B, ARG23A, ARG23B, ARG246A, ARG246B, ASN180A, ASN180B, ASN208A, ASN208B, ASN27B, ASP219A, ASP219B, ASP222A, ASP222B, ASP233A, ASP233B, ASP243A, ASP243B, GLN176A, GLN176B, GLN238A, GLN238B, GLU162A, GLU162B, GLU171A, GLU171B, GLU216A, GLU216B, GLU225A, GLU225B, GLY185A, GLY185B, GLY212A, GLY212B, GLY237A, GLY237B, GLY244A, GLY244B, GLY245A, GLY245B, HIS135B, ILE145A, ILE145B, ILE177A, ILE177B, ILE178A, ILE178B, ILE187A, ILE187B, ILE235A, ILE235B, ILE240A, ILE240B, ILE241A, ILE241B, LEU142A, LEU142B, LEU168A, LEU168B, LEU172A, LEU172B, LEU227A, LEU227B, LEU248A, LEU248B, LEU249A, LEU249B, LYS218A, LYS218B, LYS231A, LYS231B, MET214A, MET214B, MET220A, MET220B, MET234A, MET234B, PHE226A, PHE226B, PRO174A, PRO174B, PRO210A, PRO210B, SER173A, SER173B, SER183A, SER183B, SER229A, SER229B, SER230A, SER230B, SER247A, SER247B, THR165A, THR165B, THR209A, THR209B, THR223A, THR223B, THR239A, THR239B, TYR167A, TYR167B, VAL170A, VAL170B, VAL179A, VAL179B, VAL182A, VAL182B, VAL215A, VAL215B, VAL221A, VAL221B, VAL224A, VAL224B, VAL242A, VAL242B, VAL250A, VAL250B
• A-C: ALA186A, ALA186C, ALA205A, ALA205C, ARG146A, ARG146C, ARG246A, ARG246C, ASN197A, ASN197C, ASN208A, ASN208C, ASP200A, ASP200C, ASP204A, ASP204C, ASP243A, ASP243C, GLU149A, GLU149C, GLU203A, GLY143A, GLY143C, GLY185A, GLY185C, GLY245A, GLY245C, ILE145A, ILE145C, LEU142A, LEU142C, LEU148A, LEU148C, LEU201A, LEU201C, LEU248A, LEU248C, LEU249A, LEU249C, LEU251A, LEU251C, PRO210A, PRO210C, SER247A, SER247C, TYR147A, TYR147C, VAL250A, VAL250C
• A-D: ALA114A, ALA114D, ALA116A, ALA116D, ALA121A, ALA121D, ALA124A, ALA124D, ALA125A, ALA125D, ALA159A, ALA159D, ALA160A, ALA160D, ALA163A, ALA163D, ALA169A, ALA169D, ALA67A, ALA67D, ARG146A, ARG146D, ARG166A, ARG166D, ARG96A, ARG96D, ASN111A, ASN111D, ASN113A, ASN113D, ASN150A, ASN150D, ASP107A, ASP107D, GLN122A, GLN122D, GLN65A, GLN65D, GLU100A, GLU100D, GLU102A, GLU102D, GLU103A, GLU103D, GLU123A, GLU123D, GLU129A, GLU129D, GLU149A, GLU149D, GLU162A, GLU162D, GLU171A, GLU171D, GLY143A, GLY143D, GLY155A, GLY155D, GLY237A, GLY237D, GLY64A, GLY64D, HIS105A, HIS105D, ILE145A, ILE145D, ILE177A, ILE177D, LEU101A, LEU101D, LEU117A, LEU117D, LEU118A, LEU118D, LEU127A, LEU127D, LEU142A, LEU142D, LEU148A, LEU148D, LEU161A, LEU161D, LEU164A, LEU164D, LEU168A, LEU168D, LEU172A, LEU172D, LEU95D, LYS115A, LYS115D, LYS126A, LYS126D, LYS158A, LYS158D, LYS175A, LYS175D, LYS70A, LYS70D, MET110A, MET110D, MET99A, MET99D, PHE119A, PHE119D, PHE195A, PHE195D, PRO174D, PRO66A, PRO66D, PRO97A, PRO97D, SER141A, SER141D, SER144A, SER144D, SER157A, SER157D, SER173D, THR104A, THR104D, THR152A, THR152D, THR153A, THR153D, THR165A, THR165D, TRP106A, TRP106D, TRP108A, TRP108D, TYR147A, TYR147D, TYR151A, TYR151D, TYR167A, TYR167D, VAL154A, VAL154D, VAL156A, VAL156D, VAL170A, VAL170D, VAL179A, VAL179D, VAL98A, VAL98D
• B-C: ALA114B, ALA114C, ALA116B, ALA116C, ALA121B, ALA121C, ALA124B, ALA124C, ALA125B, ALA125C, ALA159B, ALA159C, ALA160B, ALA160C, ALA163B, ALA163C, ALA169B, ALA169C, ALA67B, ALA67C, ARG146B, ARG146C, ARG166B, ARG166C, ARG96B, ARG96C, ASN111B, ASN111C, ASN113B, ASN113C, ASN150B, ASN150C, ASP107B, ASP107C, CYS120B, CYS120C, GLN122B, GLN122C, GLN65B, GLN65C, GLU100B, GLU100C, GLU102B, GLU102C, GLU103B, GLU103C, GLU123B, GLU123C, GLU129B, GLU129C, GLU149B, GLU149C, GLU162B, GLU162C, GLU171B, GLU171C, GLY143B, GLY143C, GLY155B, GLY155C, GLY237B, GLY237C, GLY64B, GLY64C, HIS105B, HIS105C, ILE145B, ILE145C, ILE177B, ILE177C, LEU101B, LEU101C, LEU117B, LEU117C, LEU118B, LEU118C, LEU127B, LEU127C, LEU142B, LEU142C, LEU148B, LEU148C, LEU161B, LEU161C, LEU164B, LEU164C, LEU168B, LEU168C, LEU172B, LEU172C, LEU95B, LEU95C, LYS115B, LYS115C, LYS126B, LYS126C, LYS158B, LYS158C, LYS175B, LYS175C, LYS70B, MET110B, MET110C, MET99B, MET99C, PHE119B, PHE119C, PHE195B, PRO66B, PRO66C, PRO97B, PRO97C, SER141B, SER141C, SER144B, SER144C, SER157B, SER157C, THR104B, THR104C, THR109C, THR152B, THR152C, THR153B, THR153C, THR165B, THR165C, TRP106B, TRP106C, TRP108B, TRP108C, TYR147B, TYR147C, TYR151B, TYR151C, TYR167B, TYR167C, VAL154B, VAL154C, VAL156B, VAL156C, VAL170B, VAL170C, VAL179C, VAL98B, VAL98C
• B-D: ALA186B, ALA186D, ALA205B, ALA205D, ARG146B, ARG146D, ARG198D, ARG246B, ARG246D, ASN197B, ASN197D, ASN208B, ASN208D, ASP200B, ASP200D, ASP204B, ASP204D, ASP243B, ASP243D, GLN207B, GLU149B, GLU149D, GLU199D, GLU203B, GLU203D, GLY143B, GLY143D, GLY185B, GLY185D, GLY245B, GLY245D, ILE145B, ILE145D, ILE241B, LEU142B, LEU142D, LEU148B, LEU148D, LEU201B, LEU201D, LEU202B, LEU202D, LEU248B, LEU248D, LEU249B, LEU249D, LEU251B, LEU251D, PHE195D, PRO210B, PRO210D, SER141B, SER144B, SER247B, SER247D, TYR147B, TYR147D, VAL250B, VAL250D
• C-D: ALA163C, ALA163D, ALA169C, ALA169D, ALA186C, ALA186D, ALA205C, ALA205D, ALA211C, ALA211D, ALA232C, ALA232D, ARG146C, ARG146D, ARG166C, ARG166D, ARG213C, ARG213D, ARG236C, ARG236D, ARG23C, ARG23D, ARG246C, ARG246D, ASN180C, ASN180D, ASN208C, ASN208D, ASN27C, ASN27D, ASP219C, ASP219D, ASP222C, ASP222D, ASP233C, ASP233D, ASP243C, ASP243D, GLN176C, GLN176D, GLN238C, GLN238D, GLU162C, GLU162D, GLU171C, GLU171D, GLU216C, GLU216D, GLU225C, GLU225D, GLY185C, GLY185D, GLY212C, GLY212D, GLY237C, GLY237D, GLY244C, GLY244D, GLY245C, GLY245D, HIS135C, HIS135D, ILE145C, ILE145D, ILE177C, ILE177D, ILE178C, ILE178D, ILE235C, ILE235D, ILE240C, ILE240D, ILE241C, ILE241D, LEU142C, LEU142D, LEU168C, LEU168D, LEU172C, LEU172D, LEU227C, LEU227D, LEU248C, LEU248D, LEU249C, LEU249D, LYS218C, LYS218D, LYS231C, LYS231D, MET214C, MET214D, MET220C, MET220D, MET234C, MET234D, PHE226C, PHE226D, PRO174C, PRO174D, PRO210C, PRO210D, SER173C, SER173D, SER183C, SER183D, SER229C, SER229D, SER230C, SER230D, SER247C, SER247D, THR165C, THR165D, THR209C, THR209D, THR223C, THR223D, THR239C, THR239D, TYR167C, TYR167D, VAL170C, VAL170D, VAL179C, VAL179D, VAL182C, VAL182D, VAL215C, VAL215D, VAL221C, VAL221D, VAL224C, VAL224D, VAL242C, VAL242D, VAL250C, VAL250D