3ML4

crystal structure of a complex between dok7 ph-ptb and the musk juxtamembrane region

• Total interactions analyzed: 28
• Total true interactions: 18
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 36
  • Norm. En. per Res.: -4.4992
• Hub Node: A(6)

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	-26.3548	-7.1796	-242.712	-276.2465	95	12	10	10023	0	18	23
A-C	-17.2416	32.0895	-154.142	-139.2941	68	4	2	5265	0	18	20
A-D	0.0	0.0	-2.66	-2.66	22	0	0	333	0	3	12
A-E	-37.5128	-15.0451	-109.414	-161.9719	36	6	2	4515	2	5	7
A-F	0.0	-17.3408	-28.3002	-45.641	23	0	0	1219	2	4	3
A-G	0.0	0.0	-0.0005	-0.0005	2	0	0	1	0	1	0
B-C	0.0	0.0	-0.8751	-0.8751	15	0	0	203	0	0	6
B-D	-19.3645	36.2206	-146.19	-129.3339	65	4	1	5064	0	19	19
B-E	-23.197	-34.143	-46.6949	-104.0348	25	2	0	1819	6	4	5
B-F	-35.1594	-17.7206	-120.06	-172.94	41	2	2	4623	2	6	7
B-H	0.0	0.0	-0.0701	-0.0701	2	0	0	8	0	1	0
C-D	-31.0851	-9.6643	-284.628	-325.3774	102	19	9	10698	0	19	27
C-E	0.0	0.0	-0.2112	-0.2112	2	0	0	18	0	1	0
C-G	-38.6935	-15.6588	-123.455	-177.8073	42	3	2	4847	2	5	7
C-H	-18.1447	-26.0648	-38.3656	-82.5751	23	4	0	1626	5	4	5
D-F	0.0	0.0	-0.2806	-0.2806	2	0	0	20	0	1	0
D-G	-7.5324	-16.0319	-32.7827	-56.347	21	1	0	1532	4	4	4
D-H	-31.8971	-13.6192	-110.33	-155.8463	41	4	2	4565	2	5	7

Interface residues

• A-B: ALA107A, ALA107B, ALA33A, ALA33B, ALA4A, ALA4B, ALA5A, ALA5B, ARG103A, ARG103B, ARG201A, ARG201B, ARG27A, ARG27B, ASN135A, ASN135B, ASP136A, ASP136B, ASP197A, ASP197B, ASP34A, ASP34B, CB4.60092-29.87937, CYS134A, CYS134B, CYS198A, CYS198B, CYS35A, CYS35B, GLU110A, GLU110B, GLU3A, GLU3A5, GLU3B, GLY109A, GLY109B, GLY202A, GLY202B, GLY208A, GLY208B, HIS112A, HIS112B, ILE137A, ILE137B, ILE199A, ILE199B, ILE203A, ILE203B, LEU108A, LEU108B, LEU133A, LEU133B, LEU154A, LEU195A, LEU26A, LEU26B, LEU36A, LEU36B, LEU37A, LEU37B, LEU39A, LEU39B, LEU6A, LEU6B, LYS207A, LYS207B, LYS28A, LYS28B, PHE210A, PHE210B, PRO205A, PRO205B, PRO209A, PRO209B, PRO29A, PRO29B, PRO31A, PRO31B, SER155A, SER155B, SER204A, SER204B, SER30A, SER30B, THR2B, TYR106A, TYR106B, VAL111A, VAL111B, VAL200A, VAL200B, VAL32A, VAL32B, VAL7A, VAL7B
• A-C: ALA107A, ALA107C, ALA162C, ALA5A, ALA5C, ALA96A, ALA96C, ALA99A, ALA99C, ARG103A, ARG103C, ARG105A, ARG105C, ASP101A, ASP101C, ASP197A, ASP197C, CYS198A, CYS198C, CYS98A, CYS98C, GLN191A, GLN191C, GLU190A, GLU190C, GLU95A, GLU95C, GLY189C, GLY208A, GLY208C, HIS112A, HIS112C, HIS76A, HIS76C, HIS94A, HIS94C, ILE104A, ILE104C, ILE203A, ILE203C, LEU195A, LEU195C, LEU6A, LEU6C, LYS207A, LYS207C, PHE194A, PHE194C, PRO205A, PRO205C, PRO209A, PRO209C, SER193A, SER193C, SER204A, SER204C, SER93A, SER93C, THR102A, THR102C, THR206A, THR206C, TRP100A, TRP100C, TYR106A, TYR106C, VAL7A, VAL7C
• A-D: ALA4A, ALA4D, ARG103A, ARG103D, ARG47D, CYS45A, CYS45D, GLY208A, GLY208D, GLY50A, GLY50D, LYS207A, LYS207D, LYS44A, LYS44D, LYS49A, LYS49D, PHE210A, PRO209A, PRO209D, SER48A, SER48D
• A-E: ALA162A, ARG158A, ARG159A, ARG174A, ARG201A, ARG555E, ASN550E, ASP136A, ASP156A, ASP197A, GLN554E, GLU170A, GLY161A, GLY202A, HIS548E, ILE168A, ILE199A, LEU154A, LEU157A, LEU547E, LYS153A, MET552E, PHE167A, PHE169A, PHE183A, PHE194A, PHE196A, PHE210A, PRO549E, PRO551E, SER155A, SER193A, TYR160A, VAL163A, VAL181A, VAL200A
• A-F: ARG27A, ARG47A, ARG52A, ARG555F, ASN550F, GLN554F, GLU3A, GLU53A, LEU37A, LEU39A, LEU57A, LYS28A, MET552F, PRO29A, PRO31A, PRO551F, SER30A, SER55A, SER56A, THR58A, TYR41A, VAL25A, VAL40A
• A-G: GLU95A, HIS548G
• B-C: GLU8C, GLY208B, GLY208C, LYS207B, LYS207C, LYS44B, LYS44C, LYS49B, LYS49C, PRO209B, PRO209C, SER48B, SER48C, THR2B, TRP23C
• B-D: ALA107B, ALA107D, ALA162D, ALA5B, ALA5D, ALA96B, ALA96D, ALA99B, ALA99D, ARG103B, ARG103D, ARG105B, ARG105D, ASP101B, ASP101D, ASP197B, ASP197D, CYS198B, CYS198D, CYS98B, CYS98D, GLN191B, GLN191D, GLU190B, GLU190D, GLU95B, GLU95D, GLY208B, GLY208D, HIS112B, HIS112D, HIS76D, HIS94B, HIS94D, ILE104B, ILE104D, ILE203B, ILE203D, LEU195B, LEU195D, LEU6B, LEU6D, LYS207B, LYS207D, PHE194B, PHE194D, PRO205B, PRO205D, PRO209B, PRO209D, SER193B, SER193D, SER204B, SER204D, SER93D, THR102B, THR102D, THR206B, THR206D, TRP100B, TRP100D, TYR106B, TYR106D, VAL7B, VAL7D
• B-E: ARG27B, ARG47B, ARG52B, ARG555E, ASN550E, GLN554E, GLU3B, GLU53B, LEU37B, LEU39B, LEU51B, LEU57B, LYS28B, MET552E, PRO29B, PRO549E, PRO551E, SER30B, SER55B, SER56B, THR2B, THR58B, TYR41B, VAL25B, VAL40B
• B-F: ALA162B, ARG158B, ARG159B, ARG174B, ARG201B, ARG555F, ASN135B, ASN550F, ASP136B, ASP156B, ASP197B, CYS198B, GLN554F, GLU170B, GLU190B, GLY161B, GLY202B, HIS548F, ILE168B, ILE199B, ILE203B, LEU154B, LEU157B, LEU547F, LYS153B, MET552F, PHE167B, PHE169B, PHE182B, PHE183B, PHE194B, PHE196B, PHE210B, PRO549F, PRO551F, SER155B, SER193B, TYR160B, VAL163B, VAL181B, VAL200B
• B-H: GLU95B, HIS548H
• C-D: ALA107C, ALA107D, ALA33C, ALA33D, ALA4C, ALA4D, ALA5C, ALA5D, ARG103C, ARG103D, ARG105C, ARG105D, ARG174D, ARG201C, ARG201D, ARG27C, ARG27D, ARG47C, ARG47D, ARG52C, ASN135C, ASN135D, ASP136C, ASP136D, ASP197C, ASP197D, ASP34C, ASP34D, CYS134C, CYS134D, CYS198C, CYS198D, CYS35C, CYS35D, GLU110C, GLU110D, GLU3C, GLU3D, GLY109C, GLY109D, GLY202C, GLY202D, GLY208C, GLY208D, HIS112D, ILE104C, ILE137C, ILE137D, ILE199C, ILE199D, ILE203C, ILE203D, ILE62C, ILE62D, LEU108C, LEU108D, LEU133C, LEU133D, LEU154C, LEU154D, LEU26C, LEU26D, LEU36C, LEU36D, LEU37C, LEU37D, LEU39C, LEU39D, LEU6C, LEU6D, LYS207C, LYS207D, LYS28C, LYS28D, PHE210C, PHE210D, PRO205D, PRO209C, PRO209D, PRO29C, PRO29D, PRO31C, PRO31D, SER155C, SER155D, SER204C, SER204D, SER30C, SER30D, THR58C, THR58D, TYR106C, TYR106D, VAL111C, VAL111D, VAL200C, VAL200D, VAL25C, VAL32C, VAL32D, VAL7C, VAL7D
• C-E: GLU95C, HIS548E
• C-G: ALA162C, ARG158C, ARG159C, ARG174C, ARG201C, ARG555G, ASN135C, ASN550G, ASP136C, ASP156C, ASP197C, CYS198C, GLN554G, GLU170C, GLU190C, GLY161C, GLY166C, GLY202C, HIS548G, ILE168C, ILE199C, ILE203C, LEU154C, LEU157C, LEU547G, LYS153C, MET552G, PHE167C, PHE169C, PHE182C, PHE183C, PHE194C, PHE196C, PHE210C, PRO549G, PRO551G, SER155C, SER193C, TYR160C, VAL163C, VAL181C, VAL200C
• C-H: ARG27C, ARG47C, ARG52C, ARG555H, ASN550H, GLN554H, GLU3C, GLU53C, LEU37C, LEU39C, LEU57C, LYS28C, MET552H, PRO29C, PRO31C, PRO551H, SER30C, SER55C, SER56C, THR58C, TYR41C, VAL25C, VAL40C
• D-F: GLU95D, HIS548F
• D-G: ARG27D, ARG47D, ARG52D, ARG555G, GLN554G, GLU3D, GLU53D, LEU37D, LEU39D, LEU57D, LYS28D, MET552G, PRO29D, PRO551G, SER30D, SER55D, SER56D, THR58D, TYR41D, VAL25D, VAL40D
• D-H: ALA162D, ARG158D, ARG159D, ARG174D, ARG201D, ARG555H, ASN135D, ASN550H, ASP136D, ASP156D, ASP197D, CYS198D, GLN554H, GLU170D, GLU190D, GLY161D, GLY202D, HIS548H, ILE168D, ILE199D, ILE203D, LEU154D, LEU157D, LEU547H, LYS153D, MET552H, PHE167D, PHE169D, PHE182D, PHE194D, PHE196D, PHE210D, PRO164D, PRO549H, PRO551H, SER155D, SER193D, TYR160D, VAL163D, VAL181D, VAL200D