3OX6

crystal structure of the calcium sensor calcium-binding protein 1 (cabp1)

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 100
  • Norm. En. per Res.: -5.0484
• Hub Node: A(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	-64.2422	-166.7123	-239.004	-469.9585	99	15	2	9932	11	87	82
A-C	-5.2342	-23.8758	-5.2721	-34.382	16	1	0	388	2	10	18
A-E	0.0	-8.3655	-3.8855	-12.251	17	2	0	467	0	10	17
A-F	-67.0985	-24.9122	-310.067	-402.0778	136	22	3	13579	6	46	63
B-C	-89.4507	-49.1141	-350.574	-489.1388	140	21	3	14685	10	52	72
B-D	0.0	-4.5978	-7.1908	-11.7886	20	0	1	644	0	14	19
B-F	0.0	6.5416	-0.7502	5.7914	15	0	0	191	0	11	18
C-D	-76.6348	-154.7591	-273.445	-504.8389	100	20	2	10719	12	86	84
C-E	0.0	0.2517	-5.5095	-5.2578	21	0	1	624	0	12	23
D-E	-54.7423	-49.764	-321.46	-425.9662	130	25	3	13467	6	52	69
D-F	0.0	5.5886	-4.0304	1.5582	16	0	0	464	0	12	18
E-F	-10.0105	-17.7275	-63.1748	-90.9128	51	1	1	3114	0	43	42

Interface residues

• A-B: ALA30A, ALA30B, ALA96A, ALA96B, ARG105A, ARG105B, ARG109A, ARG109B, ARG155B, ARG45A, ARG45B, ARG52A, ARG52B, ASN114B, ASN43A, ASN43B, ASN49A, ASN49B, ASP106A, ASP106B, ASP112A, ASP112B, ASP116A, ASP116B, ASP153B, ASP157A, ASP157B, ASP37A, ASP37B, ASP46A, ASP46B, ASP97A, ASP97B, CYS50A, CYS50B, GLU103A, GLU103B, GLU118A, GLU118B, GLU159A, GLU159B, GLU22A, GLU23A, GLU25B, GLU26A, GLU26B, GLU29A, GLU29B, GLU33A, GLU33B, GLU94A, GLU94B, GLY100A, GLY100B, GLY115A, GLY115B, GLY117A, GLY117B, GLY48A, GLY48B, GLY55A, GLY55B, ILE119B, ILE99A, ILE99B, LEU104A, LEU104B, LEU27A, LEU27B, LEU47A, LEU91A, LYS102A, LYS102B, MET51A, MET51B, MET54A, MET54B, MET57A, MET57B, MET98A, MET98B, PHE108A, PHE108B, PHE158A, PHE158B, PHE161B, PRO58A, PRO58B, THR53A, THR53B, THR95A, THR95B, TYR56A, TYR56B, VAL101A, VAL101B, VAL156B, VAL162A, VAL162B
• A-C: ARG146C, ARG163A, ARG163C, ARG167C, ASN151A, ASN151C, ASP147C, ASP149C, ASP153A, ASP157A, GLU159A, GLY152C, LEU150A, LEU150C, PHE158A, VAL101A
• A-E: ARG146A, ARG163A, ARG163E, ARG167A, ASN151A, ASN151E, ASP147A, ASP149A, ASP153E, ASP157E, GLU159A, GLU159E, GLY152A, GLY152E, LEU150A, LEU150E, PHE158E
• A-F: ALA107A, ALA107F, ALA127A, ALA127F, ALA93A, ALA93F, ALA96A, ALA96F, ARG146A, ARG146F, ARG163A, ARG163F, ARG167A, ARG167F, ARG17A, ARG17F, ARG45A, ARG45F, ARG52A, ARG52F, ASN43A, ASN43F, ASN71A, ASN71F, ASN73A, ASN73F, ASP140A, ASP140F, ASP147A, ASP147F, ASP149A, ASP149F, ASP16A, ASP16F, ASP46A, ASP97A, ASP97F, CYS44A, CYS44F, GLN135A, GLN135F, GLN68A, GLN68F, GLN69A, GLN69F, GLU143A, GLU143F, GLU160A, GLU160F, GLU60A, GLU60F, GLU62A, GLU62F, GLU65A, GLU65F, GLU85A, GLU85F, GLU94A, GLU94F, GLY133F, GLY137A, GLY137F, HIS134A, HIS134F, ILE119F, ILE141A, ILE141F, ILE144A, ILE144F, ILE145A, ILE145F, ILE42A, ILE64A, ILE64F, LEU124A, LEU124F, LEU131A, LEU131F, LEU132A, LEU132F, LEU63A, LEU63F, LEU66A, LEU66F, LEU86A, LEU86F, LEU92A, LEU92F, LYS90A, LYS90F, MET128A, MET128F, MET15A, MET15F, MET164A, MET164F, MET165A, MET165F, MET51A, MET51F, MET57A, MET57F, MET61A, MET61F, MET72A, MET72F, MET87A, MET98A, MET98F, PHE111A, PHE111F, PHE161A, PHE161F, PRO58A, PRO58F, PRO89A, PRO89F, SER166A, SER166F, SER18A, SER18F, SER67A, SER67F, THR59A, THR59F, THR95A, THR95F, TYR41A, TYR56A, TYR56F, VAL136A, VAL136F, VAL148A, VAL148F, VAL162A, VAL162F
• B-C: ALA107B, ALA107C, ALA127B, ALA127C, ALA93B, ALA93C, ALA96B, ALA96C, ARG129B, ARG129C, ARG139B, ARG139C, ARG146B, ARG146C, ARG163B, ARG163C, ARG167B, ARG167C, ARG17B, ARG17C, ARG45B, ARG45C, ARG52B, ARG52C, ASN43B, ASN43C, ASN71B, ASN71C, ASN73B, ASN73C, ASP140B, ASP140C, ASP147B, ASP147C, ASP16B, ASP16C, ASP46C, ASP97B, ASP97C, CYS44B, CYS44C, GLN135B, GLN135C, GLN68B, GLN68C, GLN69B, GLN69C, GLU143B, GLU143C, GLU160B, GLU160C, GLU60B, GLU60C, GLU62B, GLU62C, GLU65B, GLU65C, GLU85B, GLU85C, GLU94B, GLU94C, GLY137B, GLY137C, HIS134B, HIS134C, ILE119B, ILE119C, ILE141B, ILE141C, ILE144B, ILE144C, ILE145B, ILE145C, ILE42C, ILE64B, ILE64C, LEU104B, LEU124B, LEU124C, LEU131B, LEU131C, LEU132B, LEU132C, LEU63B, LEU63C, LEU66B, LEU66C, LEU86B, LEU86C, LEU92B, LEU92C, LYS90B, LYS90C, MET128B, MET128C, MET15B, MET15C, MET164B, MET164C, MET165B, MET165C, MET51B, MET51C, MET57B, MET57C, MET61B, MET61C, MET72B, MET72C, MET98B, MET98C, PHE111B, PHE111C, PHE161B, PHE161C, PRO58B, PRO58C, PRO89B, PRO89C, SER166B, SER166C, SER18B, SER18C, SER67B, SER67C, THR59B, THR59C, THR95B, THR95C, TYR41B, TYR41C, TYR56B, TYR56C, VAL136B, VAL136C, VAL148B, VAL148C, VAL156B, VAL162B, VAL162C
• B-D: ARG146B, ARG163B, ARG163D, ARG167B, ASN151B, ASN151D, ASP147B, ASP149B, ASP153D, ASP157D, GLU159D, GLU160D, GLY152B, GLY152D, LEU150B, LEU150D, PHE158D, SER166B, VAL101D, VAL162D
• B-F: ARG146F, ARG163B, ARG163F, ARG167F, ASN151B, ASN151F, ASP147F, ASP149F, ASP153B, ASP157B, GLU159B, LEU150B, LEU150F, VAL101B, VAL162B
• C-D: ALA30C, ALA30D, ALA96C, ALA96D, ARG105C, ARG105D, ARG109C, ARG109D, ARG155D, ARG32C, ARG32D, ARG45C, ARG45D, ARG52C, ARG52D, ASN151D, ASN43C, ASN49C, ASN49D, ASP106C, ASP106D, ASP112C, ASP112D, ASP116C, ASP116D, ASP153D, ASP157C, ASP157D, ASP37C, ASP46C, ASP46D, ASP97C, ASP97D, CYS50C, CYS50D, GLU103C, GLU103D, GLU118C, GLU118D, GLU159C, GLU159D, GLU22C, GLU23C, GLU23D, GLU25C, GLU26C, GLU26D, GLU29C, GLU29D, GLU33C, GLU33D, GLU94C, GLU94D, GLY100C, GLY100D, GLY115C, GLY115D, GLY117C, GLY117D, GLY48C, GLY48D, GLY55C, GLY55D, ILE119D, ILE99C, ILE99D, LEU104C, LEU104D, LEU27C, LEU47C, LEU47D, LEU91C, LEU91D, LYS102C, LYS102D, MET51C, MET51D, MET54C, MET54D, MET57C, MET57D, MET98C, MET98D, PHE108C, PHE108D, PHE158C, PHE158D, PRO58C, PRO58D, THR53C, THR53D, THR95C, THR95D, TYR56C, TYR56D, VAL101C, VAL101D, VAL156D, VAL162C, VAL162D
• C-E: ARG146E, ARG163C, ARG163E, ARG167E, ASN151C, ASN151E, ASP147E, ASP149E, ASP153C, ASP157C, GLU118C, GLU159C, GLU160C, GLY152C, GLY152E, LEU150C, LEU150E, PHE158C, VAL101C, VAL148E, VAL162C
• D-E: ALA107D, ALA127D, ALA93D, ALA93E, ALA96D, ALA96E, ARG129D, ARG139E, ARG146D, ARG146E, ARG163D, ARG163E, ARG167D, ARG167E, ARG17D, ARG17E, ARG45D, ARG45E, ARG52D, ARG52E, ASN43E, ASN71D, ASN71E, ASN73D, ASN73E, ASP140D, ASP140E, ASP147D, ASP147E, ASP149D, ASP16D, ASP16E, ASP46D, ASP97D, ASP97E, CYS44D, CYS44E, GLN135D, GLN135E, GLN68D, GLN68E, GLN69D, GLN69E, GLU143D, GLU143E, GLU160D, GLU160E, GLU60D, GLU60E, GLU62D, GLU62E, GLU65D, GLU65E, GLU85D, GLU85E, GLU94D, GLU94E, GLY133E, GLY137D, GLY137E, HIS134D, HIS134E, ILE119D, ILE141D, ILE141E, ILE144D, ILE144E, ILE145D, ILE145E, ILE42E, ILE64D, ILE64E, ILE70D, LEU124D, LEU131D, LEU132D, LEU47D, LEU63D, LEU63E, LEU66D, LEU66E, LEU86D, LEU86E, LEU92D, LEU92E, LYS90D, LYS90E, MET128D, MET15D, MET15E, MET164D, MET164E, MET165D, MET165E, MET51D, MET51E, MET57D, MET57E, MET61D, MET61E, MET72D, MET72E, MET98D, MET98E, PHE111D, PHE161D, PHE161E, PRO58D, PRO58E, PRO89D, PRO89E, SER166D, SER166E, SER18D, SER18E, SER67D, SER67E, THR59D, THR59E, THR95D, THR95E, TYR41E, TYR56D, TYR56E, VAL136D, VAL136E, VAL148D, VAL148E, VAL162D, VAL162E
• D-F: ARG146D, ARG163D, ARG163F, ARG167D, ASN151D, ASN151F, ASP147D, ASP149D, ASP153F, ASP157F, GLU159F, GLY152D, GLY152F, LEU150D, LEU150F, VAL101F
• E-F: ALA96E, ALA96F, ARG105F, ARG45E, ARG52E, ARG52F, ASN49E, ASN49F, ASP112F, ASP116F, ASP153F, ASP157E, ASP157F, ASP37E, ASP46E, ASP97E, ASP97F, GLU103F, GLU118F, GLU159E, GLU159F, GLU26E, GLU29E, GLU33E, GLU94E, GLY100F, GLY115F, GLY117F, GLY48E, GLY55E, ILE99E, ILE99F, LEU104F, LYS102F, MET51E, MET54E, MET57E, MET57F, MET98E, MET98F, PHE108F, PHE158E, PHE158F, PRO58E, PRO58F, THR53E, THR95E, TYR56E, VAL101F, VAL162E, VAL162F