2G5B

crystal structure of the anti-bax monoclonal antibody 6a7 and a bax peptide.

• Total interactions analyzed: 66
• Total true interactions: 24
• Strongest Interaction:
  • Chains: C-J
  • Int. Res.: 23
  • Norm. En. per Res.: -4.7966
• Hub Node: C(4)

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	-48.0749	-41.3728	-536.35	-625.7976	190	22	13	20479	3	24	22
A-D	0.0	0.0	-0.004	-0.004	2	0	0	4	0	2	0
A-I	-24.7837	0.0	-82.0132	-106.7969	24	12	0	2676	0	3	0
B-C	0.0	0.0	-0.0046	-0.0046	4	0	0	8	0	2	0
B-D	-17.9769	19.766	-172.317	-170.5279	126	9	6	8745	2	15	15
B-I	-13.2569	-28.4667	-87.539	-129.2626	28	13	1	3226	2	3	4
B-J	0.0	0.0	-0.3456	-0.3456	4	0	0	65	0	0	0
C-D	-52.3224	-48.2845	-543.008	-643.6149	190	23	12	20751	3	24	24
C-E	-12.0336	-1.953	-44.2535	-58.2401	76	2	0	2922	0	17	21
C-F	0.0	-2.3158	-1.0064	-3.3222	11	0	0	200	0	3	6
C-J	-32.3136	0.0	-78.0081	-110.3217	23	6	0	2651	0	3	0
D-I	0.0	0.0	-0.3861	-0.3861	4	0	0	72	0	0	0
D-J	-8.98	-28.3548	-86.5262	-123.861	28	14	1	3368	2	3	4
E-F	-51.5674	-50.6774	-553.456	-655.7008	190	20	12	20844	3	23	23
E-H	0.0	0.0	-0.0019	-0.0019	3	0	0	2	0	2	0
E-K	-28.7088	0.0	-83.1353	-111.8441	24	8	0	2744	0	3	0
F-G	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	2	0
F-H	-34.3232	4.7334	-203.65	-233.2398	135	13	6	10187	4	18	16
F-K	-9.7207	-31.6733	-84.2191	-125.6131	28	15	1	3277	2	3	4
F-L	0.0	0.0	-0.9565	-0.9565	5	0	0	118	0	0	0
G-H	-30.7693	-53.8608	-556.365	-640.9951	187	22	13	20838	3	22	23
G-L	-34.4927	0.0	-72.0286	-106.5213	23	12	0	2713	0	3	0
H-K	0.0	0.0	-0.5649	-0.5649	4	0	0	94	0	0	0
H-L	-10.8428	-28.7701	-88.3141	-127.9269	28	13	1	3243	2	3	4

Interface residues

• A-B: ALA103B, ALA123B, ALA129A, ALA166B, ALA34A, ALA44B, ALA51A, ARG100B, ARG30A, ARG38B, ARG52B, ARG54A, ARG94B, ARG95A, ASN131B, ASN136A, ASN137A, ASN160A, ASN30A, ASN31A, ASN93A, ASN96B, ASP100B, ASP164A, ASP166A, ASP169A, ASP1A, ASP95B, ASP99B, CYS133A, CYS138B, CYS88A, CYS92B, GLN123A, GLN165A, GLN169B, GLN37A, GLN38A, GLN39B, GLN42A, GLN6A, GLN90A, GLU122A, GLU46B, GLU55A, GLU56B, GLU6B, GLY100A, GLY102B, GLY104B, GLY127A, GLY128A, GLY137B, GLY157A, GLY160B, GLY41A, GLY42B, GLY49B, GLY58B, GLY97B, GLY98A, GLY99A, HIS162B, ILE116A, ILE208B, ILE2A, ILE48A, ILE51B, LEU122B, LEU124A, LEU135A, LEU136B, LEU139B, LEU159A, LEU168B, LEU172B, LEU175B, LEU178A, LEU180A, LEU33A, LEU45B, LEU46A, LEU47A, LEU48B, LEU94A, LYS102A, LYS141B, LYS168A, LYS206A, LYS206B, LYS207B, LYS30A, LYS39A, LYS43B, LYS45A, LYS62B, LYS89A, MET133B, MET174A, MET34B, PHE100B, PHE117A, PHE134A, PHE138A, PHE164B, PHE208A, PHE50B, PHE97A, PRO118A, PRO119A, PRO121B, PRO124B, PRO165B, PRO44A, PRO59B, SER115A, SER118B, SER120A, SER121A, SER126A, SER130A, SER158B, SER159B, SER161A, SER167A, SER170B, SER173A, SER175A, SER176A, SER176B, SER177B, SER178B, SER35B, SER43A, SER56A, SER91A, SER98B, THR113A, THR125A, THR135B, THR163A, THR163B, THR171A, THR174B, THR177A, THR179A, THR180B, THR30A, THR53A, THR55B, THR89B, THR96A, TRP100B, TRP101B, TRP152B, TRP162A, TRP186B, TRP35A, TRP36B, TRP47B, TRP50A, TYR100B, TYR120B, TYR172A, TYR173B, TYR32A, TYR33B, TYR36A, TYR49A, TYR57B, TYR86A, TYR87A, TYR91B, TYR92A, VAL100B, VAL114A, VAL119B, VAL131A, VAL132A, VAL134B, VAL140B, VAL158A, VAL161B, VAL167B, VAL179B, VAL209B, VAL37B, VAL3A, VAL85A, VAL93B
• A-D: GLN42A, GLU1D
• A-I: ARG30A, ARG95A, ASN30A, ASN31A, ASN93A, GLN606I, GLN90A, GLU605I, ILE2A, LEU29A, LEU94A, LYS30A, PHE30A, PRO601I, SER28A, SER30A, SER603I, SER604I, SER91A, THR30A, THR602I, TRP50A, TYR32A, TYR92A
• B-C: ASN3B, GLN42C, GLU1B, SER43C
• B-D: ALA103B, ALA103D, ALA196B, ALA196D, ALA199B, ALA199D, ALA23B, ALA23D, ARG19B, ARG19D, ARG69B, ASN194B, ASN194D, ASN32B, ASN3B, ASN3D, ASN52B, ASN52D, ASP205B, ASP205D, ASP31B, ASP31D, ASP70B, ASP71B, ASP71D, ASP99B, ASP99D, CYS22B, CYS22D, GLN73B, GLN73D, GLU1B, GLU1D, GLU6B, GLU6D, GLY102B, GLY102D, GLY104B, GLY104D, GLY10B, GLY10D, GLY26B, GLY26D, GLY8B, GLY8D, GLY9B, GLY9D, HIS197B, HIS197D, ILE30B, ILE30D, ILE75B, ILE75D, LEU11B, LEU11D, LEU18B, LEU18D, LEU20B, LEU20D, LEU4B, LEU4D, LEU76D, LYS203B, LYS203D, LYS52B, LYS52D, PHE27B, PHE27D, PHE29B, PHE29D, PRO116D, PRO198B, PRO198D, SER154B, SER154D, SER156D, SER200B, SER200D, SER201B, SER201D, SER21B, SER21D, SER25B, SER25D, SER72B, SER72D, SER74B, SER74D, SER7B, SER7D, SER98B, SER98D, THR105B, THR105D, THR106B, THR106D, THR114D, THR149B, THR149D, THR151B, THR151D, THR202B, THR202D, THR24B, THR24D, THR28B, THR28D, TRP101B, TRP101D, TYR53B, TYR53D, TYR77B, TYR77D, VAL100B, VAL100D, VAL150D, VAL195B, VAL195D, VAL204B, VAL204D, VAL2B, VAL2D, VAL52B, VAL52D, VAL5B, VAL5D
• B-I: ARG100B, ARG52B, ASN32B, ASN52B, ASN96B, ASP31B, ASP95B, ASP99B, GLN606I, GLU56B, GLU605I, GLY52B, GLY97B, ILE30B, ILE607I, LYS52B, PHE50B, PRO601I, SER603I, SER604I, SER98B, THR54B, THR602I, TRP100B, TRP47B, TYR100B, TYR33B, VAL52B
• B-J: ASP205B, ILE607J, LYS203B, SER154B
• C-D: ALA103D, ALA123D, ALA129C, ALA166D, ALA34C, ALA44D, ALA51C, ARG100D, ARG30C, ARG38D, ARG52D, ARG54C, ARG94D, ARG95C, ASN131D, ASN136C, ASN137C, ASN160C, ASN30C, ASN31C, ASN93C, ASN96D, ASP100D, ASP164C, ASP166C, ASP169C, ASP1C, ASP95D, ASP99D, CYS133C, CYS138D, CYS88C, CYS92D, GLN123C, GLN165C, GLN169D, GLN37C, GLN38C, GLN39D, GLN42C, GLN6C, GLN90C, GLU122C, GLU46D, GLU55C, GLU56D, GLU6D, GLY100C, GLY102D, GLY104D, GLY128C, GLY137D, GLY157C, GLY160D, GLY41C, GLY42D, GLY49D, GLY58D, GLY97D, GLY98C, GLY99C, HIS162D, ILE116C, ILE208D, ILE2C, ILE48C, LEU122D, LEU124C, LEU135C, LEU136D, LEU139D, LEU159C, LEU168D, LEU172D, LEU175D, LEU178C, LEU180C, LEU33C, LEU45D, LEU46C, LEU47C, LEU48D, LEU4D, LEU94C, LYS102C, LYS141D, LYS168C, LYS206C, LYS206D, LYS207D, LYS30C, LYS43D, LYS45C, LYS62D, LYS89C, MET133D, MET174C, MET34D, PHE100D, PHE117C, PHE134C, PHE138C, PHE164D, PHE208C, PHE50D, PHE97C, PRO118C, PRO119C, PRO121D, PRO124D, PRO165D, PRO40D, PRO44C, PRO59D, SER115C, SER118D, SER120C, SER121C, SER126C, SER130C, SER158D, SER159D, SER161C, SER167C, SER170C, SER170D, SER173C, SER175C, SER176C, SER176D, SER177D, SER178D, SER35D, SER43C, SER56C, SER60D, SER91C, SER98D, THR113C, THR125C, THR135D, THR163C, THR163D, THR171C, THR174D, THR177C, THR179C, THR180D, THR30C, THR53C, THR55D, THR89D, THR96C, TRP100D, TRP101D, TRP152D, TRP162C, TRP186D, TRP35C, TRP36D, TRP47D, TRP50C, TYR100D, TYR120D, TYR172C, TYR173D, TYR32C, TYR33D, TYR36C, TYR49C, TYR57D, TYR86C, TYR87C, TYR91D, TYR92C, VAL100D, VAL114C, VAL119D, VAL131C, VAL132C, VAL134D, VAL140D, VAL158C, VAL161D, VAL167D, VAL179D, VAL209D, VAL37D, VAL85C, VAL93D
• C-E: ALA12C, ALA12E, ARG107E, ASN144C, ASN144E, ASN189C, ASP109C, ASP109E, ASP142C, ASP142E, ASP150C, GLN155E, GLN165E, GLN6C, GLN6E, GLU104E, GLU153C, GLU153E, GLU194C, GLY100E, GLY151C, GLY151E, GLY98E, GLY99E, HIS197C, HIS197E, ILE105E, ILE143C, ILE143E, LEU11C, LEU11E, LYS102E, LYS106C, LYS106E, LYS141C, LYS141E, LYS146C, LYS146E, LYS148C, LYS148E, LYS198C, LYS198E, MET4E, PRO140C, PRO140E, PRO203C, PRO203E, PRO8C, PRO8E, SER10C, SER10E, SER152C, SER152E, SER190C, SER200C, SER202C, SER5C, SER5E, SER7C, SER7E, SER9C, SER9E, THR101E, THR192C, THR196C, THR196E, THR199C, THR199E, THR201C, THR201E, TRP162E, TYR139E, TYR172E, VAL13E, VAL205C, VAL3E
• C-F: ALA44F, ASN156C, GLN155C, GLU153C, GLU85F, GLY151C, GLY42F, LYS146C, LYS43F, PRO41F, SER152C
• C-J: ARG30C, ARG95C, ASN30C, ASN93C, GLN27C, GLN606J, GLN90C, GLU605J, ILE2C, LEU29C, LEU94C, LYS30C, PHE30C, PRO601J, SER30C, SER603J, SER604J, SER91C, THR30C, THR602J, TRP50C, TYR32C, TYR92C
• D-I: ASP205D, ILE607I, LYS203D, SER154D
• D-J: ARG100D, ARG52D, ASN32D, ASN52D, ASN96D, ASP31D, ASP95D, ASP99D, GLN606J, GLU56D, GLU605J, GLY52D, GLY97D, ILE30D, ILE607J, LYS52D, PHE50D, PRO601J, SER603J, SER604J, SER98D, THR54D, THR602J, TRP100D, TRP47D, TYR100D, TYR33D, VAL52D
• E-F: ALA103F, ALA123F, ALA129E, ALA166F, ALA34E, ALA44F, ALA51E, ARG100F, ARG30E, ARG38F, ARG52F, ARG54E, ARG94F, ARG95E, ASN131F, ASN136E, ASN137E, ASN160E, ASN30E, ASN31E, ASN93E, ASN96F, ASP100F, ASP164E, ASP166E, ASP169E, ASP1E, ASP95F, ASP99F, CYS133E, CYS138F, CYS88E, CYS92F, GLN123E, GLN165E, GLN169F, GLN37E, GLN38E, GLN39F, GLN42E, GLN6E, GLN90E, GLU122E, GLU46F, GLU55E, GLU56F, GLU6F, GLY100E, GLY102F, GLY104F, GLY127E, GLY128E, GLY137F, GLY157E, GLY160F, GLY41E, GLY42F, GLY49F, GLY58F, GLY97F, GLY98E, GLY99E, HIS162F, ILE116E, ILE208F, ILE2E, ILE48E, LEU122F, LEU124E, LEU135E, LEU136F, LEU139F, LEU159E, LEU168F, LEU172F, LEU175F, LEU178E, LEU180E, LEU33E, LEU45F, LEU46E, LEU47E, LEU48F, LEU94E, LYS102E, LYS141F, LYS168E, LYS206E, LYS206F, LYS207F, LYS30E, LYS39E, LYS43F, LYS45E, LYS62F, LYS89E, MET133F, MET174E, MET34F, PHE100F, PHE117E, PHE134E, PHE138E, PHE164F, PHE208E, PHE50F, PHE97E, PRO118E, PRO119E, PRO121F, PRO124F, PRO165F, PRO44E, PRO59F, SER115E, SER118F, SER120E, SER121E, SER126E, SER130E, SER158F, SER159F, SER161E, SER167E, SER170F, SER173E, SER175E, SER176E, SER176F, SER177F, SER178F, SER35F, SER43E, SER56E, SER60F, SER91E, SER98F, THR113E, THR125E, THR135F, THR163E, THR163F, THR171E, THR174F, THR177E, THR179E, THR180F, THR30E, THR53E, THR55F, THR89F, THR96E, TRP100F, TRP101F, TRP152F, TRP162E, TRP186F, TRP35E, TRP36F, TRP47F, TRP50E, TYR100F, TYR120F, TYR172E, TYR173F, TYR32E, TYR33F, TYR36E, TYR49E, TYR57F, TYR86E, TYR87E, TYR91F, TYR92E, VAL100F, VAL114E, VAL119F, VAL131E, VAL132E, VAL134F, VAL140F, VAL158E, VAL161F, VAL167F, VAL179F, VAL209F, VAL37F, VAL3E, VAL85E, VAL93F
• E-H: GLN42E, GLU1H, SER43E
• E-K: ARG30E, ARG95E, ASN30E, ASN31E, ASN93E, GLN27E, GLN606K, GLN90E, GLU605K, ILE2E, LEU29E, LEU94E, LYS30E, PHE30E, PRO601K, SER30E, SER603K, SER604K, SER91E, THR30E, THR602K, TRP50E, TYR32E, TYR92E
• F-G: GLN42G, GLU1F
• F-H: ALA103F, ALA103H, ALA196F, ALA196H, ALA199F, ALA199H, ALA23F, ALA23H, ARG19F, ARG19H, ARG69F, ARG69H, ASN153H, ASN194F, ASN194H, ASN32F, ASN32H, ASN3F, ASN3H, ASN52F, ASN52H, ASP205F, ASP205H, ASP31F, ASP31H, ASP70F, ASP70H, ASP71F, ASP71H, ASP99F, ASP99H, CYS22F, CYS22H, GLN73F, GLN73H, GLU1F, GLU1H, GLU6F, GLU6H, GLY102F, GLY102H, GLY104F, GLY104H, GLY10F, GLY10H, GLY26F, GLY26H, GLY8F, GLY8H, GLY9F, GLY9H, HIS197F, HIS197H, ILE30F, ILE30H, ILE75F, ILE75H, LEU11F, LEU11H, LEU18F, LEU18H, LEU20F, LEU20H, LEU4F, LEU4H, LEU76H, LYS203F, LYS203H, LYS52F, LYS52H, PHE27F, PHE27H, PHE29F, PHE29H, PRO116F, PRO116H, PRO198F, PRO198H, SER154F, SER154H, SER156F, SER156H, SER200F, SER200H, SER201F, SER201H, SER21F, SER21H, SER25F, SER25H, SER72F, SER72H, SER74F, SER74H, SER7F, SER7H, SER98F, SER98H, THR105F, THR105H, THR106F, THR106H, THR114F, THR114H, THR149F, THR149H, THR151F, THR151H, THR202F, THR202H, THR24F, THR24H, THR28F, THR28H, TRP101F, TRP101H, TYR53F, TYR53H, TYR77F, TYR77H, VAL100F, VAL107F, VAL148H, VAL150F, VAL150H, VAL195F, VAL195H, VAL204F, VAL204H, VAL2F, VAL2H, VAL52F, VAL52H, VAL5F, VAL5H
• F-K: ARG100F, ARG52F, ASN32F, ASN52F, ASN96F, ASP31F, ASP95F, ASP99F, GLN606K, GLU56F, GLU605K, GLY52F, GLY97F, ILE30F, ILE607K, LYS52F, PHE50F, PRO601K, SER603K, SER604K, SER98F, THR54F, THR602K, TRP100F, TRP47F, TYR100F, TYR33F, VAL52F
• F-L: ASN194F, ASP205F, ILE607L, LYS203F, SER154F
• G-H: ALA103H, ALA123H, ALA129G, ALA166H, ALA34G, ALA44H, ALA51G, ARG100H, ARG30G, ARG38H, ARG52H, ARG54G, ARG94H, ARG95G, ASN131H, ASN136G, ASN137G, ASN160G, ASN30G, ASN31G, ASN93G, ASN96H, ASP100H, ASP164G, ASP166G, ASP169G, ASP1G, ASP95H, ASP99H, CYS133G, CYS138H, CYS88G, CYS92H, GLN123G, GLN165G, GLN169H, GLN37G, GLN38G, GLN39H, GLN42G, GLN6G, GLN90G, GLU122G, GLU46H, GLU55G, GLU56H, GLU6H, GLY100G, GLY102H, GLY104H, GLY128G, GLY137H, GLY157G, GLY160H, GLY41G, GLY42H, GLY49H, GLY58H, GLY97H, GLY98G, GLY99G, HIS162H, ILE116G, ILE208H, ILE2G, ILE48G, LEU122H, LEU124G, LEU135G, LEU136H, LEU139H, LEU159G, LEU168H, LEU172H, LEU175H, LEU178G, LEU180G, LEU33G, LEU45H, LEU46G, LEU47G, LEU48H, LEU4H, LEU94G, LYS141H, LYS168G, LYS206G, LYS206H, LYS207H, LYS30G, LYS43H, LYS45G, LYS62H, LYS89G, MET133H, MET174G, MET34H, PHE100H, PHE117G, PHE134G, PHE138G, PHE164H, PHE208G, PHE50H, PHE97G, PRO118G, PRO119G, PRO121H, PRO124H, PRO165H, PRO40H, PRO44G, PRO59H, SER115G, SER118H, SER120G, SER121G, SER126G, SER130G, SER158H, SER159H, SER161G, SER167G, SER170H, SER173G, SER175G, SER176G, SER176H, SER177H, SER178H, SER35H, SER43G, SER56G, SER91G, SER98H, THR113G, THR125G, THR135H, THR163G, THR163H, THR171G, THR174H, THR177G, THR179G, THR180H, THR30G, THR53G, THR55H, THR89H, THR96G, TRP100H, TRP101H, TRP152H, TRP162G, TRP186H, TRP35G, TRP36H, TRP47H, TRP50G, TYR100H, TYR120H, TYR172G, TYR173H, TYR32G, TYR33H, TYR36G, TYR49G, TYR57H, TYR86G, TYR87G, TYR91H, TYR92G, VAL100H, VAL114G, VAL119H, VAL131G, VAL132G, VAL134H, VAL140H, VAL158G, VAL161H, VAL167H, VAL179H, VAL209H, VAL37H, VAL85G, VAL93H
• G-L: ARG30G, ARG95G, ASN30G, ASN93G, GLN27G, GLN606L, GLN90G, GLU605L, ILE2G, LEU29G, LEU94G, LYS30G, PHE30G, PRO601L, SER30G, SER603L, SER604L, SER91G, THR30G, THR602L, TRP50G, TYR32G, TYR92G
• H-K: ASP205H, ILE607K, LYS203H, SER154H
• H-L: ARG100H, ARG52H, ASN32H, ASN52H, ASN96H, ASP31H, ASP95H, ASP99H, GLN606L, GLU56H, GLU605L, GLY52H, GLY97H, ILE30H, ILE607L, LYS52H, PHE50H, PRO601L, SER603L, SER604L, SER98H, THR54H, THR602L, TRP100H, TRP47H, TYR100H, TYR33H, VAL52H