3CRL

crystal structure of the pdhk2-l2 complex.

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 48
  • Norm. En. per Res.: -4.0096
• 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	-130.6832	-126.0716	-687.649	-944.4038	254	43	10	25276	11	69	50
A-C	-24.0043	-14.8957	-98.4101	-137.3101	52	4	1	3802	1	13	4
A-D	-46.1249	-27.2406	-119.097	-192.4625	48	6	1	3868	3	12	19
B-C	-38.8347	14.526	-103.029	-127.3376	45	5	2	3833	2	9	16
B-D	-27.119	-13.7713	-96.7143	-137.6046	55	5	2	3770	0	15	4

Interface residues

• A-B: ALA229A, ALA229B, ALA278A, ALA278B, ALA337A, ALA356B, ALA362A, ALA362B, ALA378A, ALA378B, ALA388A, ALA388B, ALA44A, ALA44B, ARG157A, ARG157B, ARG291A, ARG291B, ARG298A, ARG298B, ARG370A, ARG370B, ARG380A, ARG380B, ARG60A, ARG60B, ASN228A, ASN228B, ASN375A, ASN375B, ASN400A, ASN400B, ASN43A, ASN63B, ASP156A, ASP156B, ASP283A, ASP283B, ASP343A, ASP343B, ASP355A, ASP355B, ASP366A, ASP366B, ASP38A, ASP38B, ASP390A, ASP390B, CYS392A, CYS392B, CYS45A, CYS45B, GLN225A, GLN225B, GLN341A, GLN341B, GLN345A, GLN345B, GLN35A, GLN35B, GLN386A, GLN386B, GLU226A, GLU226B, GLU281A, GLU281B, GLU282A, GLU282B, GLU301A, GLU301B, GLU350A, GLU350B, GLU369A, GLU369B, GLU387A, GLU387B, GLU397A, GLU397B, GLU56A, GLU56B, GLU67A, GLU67B, GLY280A, GLY280B, GLY293A, GLY293B, GLY294A, GLY294B, GLY342A, GLY342B, GLY351A, GLY351B, GLY353A, GLY353B, GLY389A, GLY389B, GLY40A, GLY40B, HIS381A, HIS381B, ILE236A, ILE275A, ILE275B, ILE286A, ILE286B, ILE300A, ILE300B, ILE358A, ILE358B, ILE385A, ILE385B, ILE64A, LEU155A, LEU155B, LEU160A, LEU160B, LEU279A, LEU279B, LEU284A, LEU284B, LEU297A, LEU297B, LEU31A, LEU31B, LEU335A, LEU335B, LEU344A, LEU344B, LEU346A, LEU346B, LEU360A, LEU360B, LEU371A, LEU371B, LEU37A, LEU37B, LYS274A, LYS274B, LYS287A, LYS287B, LYS299A, LYS299B, LYS338A, LYS338B, LYS34A, LYS34B, LYS361A, LYS361B, LYS376A, LYS376B, LYS399A, LYS399B, LYS47A, MET276A, MET276B, MET288A, MET288B, MET33B, MET349A, MET349B, PHE154A, PHE158A, PHE158B, PHE347A, PHE347B, PHE352A, PHE352B, PHE36A, PHE36B, PHE39A, PHE39B, PHE52A, PHE52B, PRO28A, PRO28B, PRO296A, PRO296B, PRO30A, PRO30B, PRO372A, PRO372B, PRO394A, PRO394B, PRO398A, PRO398B, SER161A, SER161B, SER27A, SER27B, SER285A, SER285B, SER289A, SER289B, SER29A, SER29B, SER32A, SER32B, SER348A, SER348B, SER377A, SER377B, SER395A, SER395B, SER402A, SER402B, SER41A, SER41B, SER42A, SER42B, SER49A, THR230A, THR230B, THR354A, THR354B, THR365A, THR365B, THR384A, THR396B, THR401A, THR401B, THR403B, THR48A, THR48B, TRP379A, TRP379B, TRP391A, TRP391B, TYR153A, TYR153B, TYR159A, TYR159B, TYR339A, TYR339B, TYR359A, TYR359B, TYR374A, TYR374B, TYR382A, TYR382B, TYR404B, VAL227A, VAL227B, VAL277A, VAL277B, VAL295A, VAL295B, VAL357A, VAL357B, VAL368A, VAL368B, VAL373A, VAL373B, VAL393A, VAL393B
• A-C: ALA139C, ALA174C, ALA378A, ARG380A, ARG54A, ASN375A, ASN63A, ASP164C, ASP172C, GLN181C, GLN35A, GLN55A, GLU162C, GLU179C, GLU56A, GLY163C, GLY177C, HIS22A, ILE176C, LEU140C, LEU165C, LEU200C, LEU31A, LEU371A, LEU57A, LEU99A, LYS25A, LYS376A, MET144C, PHE178C, PHE23A, PHE26A, PHE52A, PRO138C, PRO142C, PRO28A, PRO30A, PRO58A, SER141C, SER161C, SER27A, SER29A, SER377A, THR143C, THR171C, THR175C, THR51A, TRP379A, TYR374A, VAL180C, VAL373A, VAL59A
• A-D: ALA167D, ALA174D, ALA388A, ARG151D, ARG196D, ASN400A, ASP144A, ASP164D, ASP172D, ASP390A, CYS392A, GLN150D, GLN386A, GLU153D, GLU158D, GLU168D, GLU170D, GLU179D, GLU387A, GLU397A, GLY163D, GLY177D, GLY389A, ILE169D, ILE176D, ILE385A, LEU160D, LEU165D, LEU166D, LYS154D, LYS159D, LYS399A, MET144D, PHE178D, PRO145A, PRO394A, PRO398A, SER161D, SER395A, THR143D, THR148D, THR171D, THR175D, THR396A, TRP152D, TRP391A, VAL180D, VAL393A
• B-C: ALA167C, ALA174C, ALA388B, ARG151C, ARG196C, ASN400B, ASP164C, ASP172C, CYS392B, GLN150C, GLN386B, GLU153C, GLU158C, GLU162C, GLU168C, GLU170C, GLU179C, GLU387B, GLU397B, GLY163C, GLY177C, GLY389B, ILE169C, ILE176C, ILE385B, LEU160C, LEU165C, LEU166C, LYS154C, LYS399B, PHE178C, PRO145B, PRO394B, PRO398B, SER161C, SER395B, THR148C, THR171C, THR175C, THR396B, TRP152C, TRP391B, VAL146B, VAL180C, VAL393B
• B-D: ALA139D, ALA174D, ALA378B, ARG380B, ARG54B, ARG60B, ASN375B, ASN63B, ASP164D, ASP172D, GLN181D, GLN35B, GLN55B, GLU162D, GLU179D, GLU21B, GLU56B, GLY163D, GLY177D, HIS22B, ILE176D, LEU140D, LEU165D, LEU200D, LEU31B, LEU371B, LEU57B, LEU99B, LYS25B, LYS376B, MET144D, PHE178D, PHE23B, PHE26B, PHE52B, PRO138D, PRO142D, PRO28B, PRO30B, PRO58B, SER141D, SER161D, SER27B, SER29B, SER377B, THR143D, THR171D, THR175D, THR51B, TRP379B, TYR374B, VAL180D, VAL368B, VAL373B, VAL59B