3U8U

crystal structure of human apurinic/apyridinimic endonuclease, ape1 in a new crystal form

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 38
  • Norm. En. per Res.: -2.7852
• Hub Node: A(2)

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	-6.6623	-37.618	-111.218	-155.4982	67	1	0	4344	4	25	31
A-D	-13.837	-29.8745	-62.1256	-105.8371	38	2	0	2268	2	25	15
B-C	-11.8264	11.5319	-68.1647	-68.4592	51	1	0	2933	3	39	29
B-F	-20.6046	-5.5578	-57.2916	-83.4539	45	2	0	2379	0	35	30
C-F	-28.27	-4.9062	-105.553	-138.7293	58	5	0	3807	0	43	27
D-E	-9.9641	-31.0638	-109.091	-150.119	65	0	0	4116	4	25	30

Interface residues

• A-B: ALA317A, ALA317B, ALA60A, ALA60B, ALA88A, ALA88B, ARG136A, ARG136B, ASP163B, ASP82A, ASP82B, ASP90A, ASP90B, CYS138A, CYS138B, GLN137A, GLN137B, GLU110A, GLU110B, GLU86A, GLU86B, GLU87A, GLU87B, GLY113A, GLY113B, HIS116A, HIS116B, ILE91A, ILE91B, LEU111A, LEU111B, LEU114A, LEU114B, LEU140A, LEU140B, LEU318A, LEU318B, LEU62A, LEU62B, LYS52A, LYS52B, LYS58A, LYS58B, LYS63A, LYS63B, LYS85A, LYS85B, PRO112A, PRO112B, PRO139A, PRO139B, PRO59A, PRO59B, PRO89A, PRO89B, SER115A, SER115B, THR53A, THR53B, THR61A, THR61B, TRP83A, TRP83B, TYR315A, TYR315B, VAL84A, VAL84B
• A-D: ALA273A, ALA74A, ARG187D, ARG274A, ARG73A, ASN102D, ASN272A, ASP124A, ASP148D, ASP152D, ASP308A, ASP70A, GLN153D, GLU101A, GLU101D, GLU149D, GLU150D, GLU183D, GLY147D, GLY306A, HIS151D, LEU305A, LYS103A, LYS103D, LYS77A, LYS78A, LYS98A, MET270A, MET271A, PRO105A, PRO122D, SER100A, SER275A, SER307A, THR268A, TYR144D, TYR184D, TYR269A
• B-C: ALA121B, ALA273C, ALA74C, ARG181B, ARG187B, ARG274C, ARG73C, ASN102B, ASN272C, ASP124B, ASP148B, ASP152B, ASP308C, ASP70C, CYS99C, GLN153B, GLU101B, GLU126B, GLU126C, GLU149B, GLU150B, GLU154B, GLU183B, GLU96C, GLY127B, GLY127C, GLY306C, GLY71C, HIS151B, LEU305C, LEU72C, LYS103B, LYS103C, LYS125B, LYS77C, LYS78C, LYS98C, MET270C, MET271C, PRO122B, SER100B, SER100C, SER123B, SER129C, SER275C, SER307C, THR268C, TYR128C, TYR144B, TYR184B, TYR269C
• B-F: ALA106B, ALA121F, ALA74B, ARG181F, ARG187F, ARG73B, ASN102F, ASP124F, ASP152F, ASP70B, CYS99B, GLN153F, GLU107B, GLU126B, GLU126F, GLU149F, GLU150F, GLU154F, GLU183F, GLU96B, GLY127B, GLY306B, GLY71B, ILE76B, LEU305B, LEU72B, LYS103B, LYS103F, LYS125F, LYS77B, LYS78B, LYS79B, LYS98B, MET270B, MET271B, PRO105B, PRO122F, SER100F, SER123F, THR97B, TRP75B, TYR128B, TYR184F, TYR269B, VAL69B
• C-F: ALA106F, ALA121C, ALA273F, ALA74F, ARG177F, ARG181C, ARG187C, ARG274F, ARG73F, ASN102C, ASN272F, ASP124C, ASP148C, ASP152C, ASP308F, ASP70F, CYS99F, GLN153C, GLU126C, GLU126F, GLU149C, GLU150C, GLU154C, GLU183C, GLU96F, GLY127C, GLY127F, GLY155C, GLY306F, GLY71F, HIS151C, ILE76F, LEU104F, LEU305F, LEU72F, LYS103F, LYS125C, LYS77F, LYS78F, LYS98F, MET270F, MET271F, PRO105F, PRO122C, SER100C, SER120C, SER123C, SER275F, SER307F, THR268F, THR97F, TRP75F, TYR128F, TYR144C, TYR184C, TYR269F, VAL180C, VAL69F
• D-E: ALA317D, ALA317E, ALA60D, ALA60E, ALA88D, ALA88E, ARG136D, ARG136E, ASP163D, ASP82E, ASP90D, ASP90E, CYS138D, CYS138E, GLN137D, GLN137E, GLU110D, GLU110E, GLU86D, GLU86E, GLU87D, GLU87E, GLY113D, GLY113E, HIS116D, HIS116E, ILE91D, ILE91E, LEU111D, LEU111E, LEU114D, LEU114E, LEU140D, LEU140E, LEU318D, LEU318E, LEU62D, LEU62E, LYS52D, LYS52E, LYS58E, LYS63D, LYS63E, LYS85D, LYS85E, PRO112D, PRO112E, PRO139D, PRO139E, PRO59D, PRO59E, PRO89D, PRO89E, SER115D, SER115E, THR53D, THR53E, THR61D, THR61E, TRP83D, TRP83E, TYR315D, TYR315E, VAL84D, VAL84E