3KFD

ternary complex of tgf-b1 reveals isoform-specific ligand recognition and receptor recruitment in the superfamily

• Total interactions analyzed: 66
• Total true interactions: 25
• Strongest Interaction:
  • Chains: D-H
  • Int. Res.: 49
  • Norm. En. per Res.: -4.4721
• Hub Node: A(7)

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	-17.4899	-7.9399	424.956	399.5262	132	17	25	15235	0	8	8
A-E	-34.7254	-50.8625	-118.365	-203.953	47	9	4	4793	5	18	8
A-I	0.0	-8.2372	-49.2375	-57.4747	30	0	1	2243	1	7	7
A-J	0.0	-7.8967	-111.441	-119.3377	68	8	3	5656	0	8	3
A-C	0.0	9.8003	-87.121	-77.3207	50	8	2	3742	0	8	11
A-D	0.0	0.0	-0.0443	-0.0443	3	0	0	8	0	0	0
A-L	0.0	3.025	-4.9412	-1.9163	7	0	0	266	0	3	4
B-F	-25.4258	-52.9032	-130.275	-208.604	49	5	4	5070	5	20	9
B-I	0.0	1.2146	-108.168	-106.9534	61	6	3	4674	0	8	4
B-J	0.0	-4.4849	-51.5783	-56.0632	32	2	1	2288	0	7	9
B-C	0.0	0.0	-0.0311	-0.0311	3	0	0	7	0	0	0
E-I	0.0	-14.8869	-91.6234	-106.5103	38	6	3	3734	1	7	7
E-L	0.0	3.4351	-20.2159	-16.7808	28	4	0	1070	0	4	3
F-J	-2.5596	5.5474	-93.7788	-90.7911	41	3	3	3756	1	7	7
J-C	0.0	3.2011	-5.431	-2.23	6	1	0	252	0	3	4
J-G	-8.7066	3.9693	-21.4072	-26.1445	30	2	0	1116	0	4	3
C-D	-8.2145	-8.7662	382.057	365.0763	131	14	25	15469	0	8	8
C-G	-39.8971	-51.3654	-113.204	-204.4666	46	7	4	4761	5	18	8
C-K	0.0	-10.6033	-47.8321	-58.4354	28	0	0	2196	1	7	6
C-L	-2.232	-11.591	-114.602	-128.425	70	5	3	5551	0	8	6
D-H	-29.8442	-51.0107	-138.276	-219.1309	49	2	4	5149	5	20	8
D-K	0.0	-6.9639	-106.607	-113.5709	60	4	4	4574	0	8	4
D-L	0.0	-14.9999	-54.5608	-69.5606	30	4	1	2496	0	7	9
G-K	0.0	-17.311	-97.5907	-114.9017	42	13	2	3975	1	7	7
H-L	-11.179	5.488	-85.8816	-91.5726	42	3	3	3538	1	7	7

Interface residues

• A-B: ALA41A, ALA41B, ALA63A, ALA63B, ALA72A, ALA72B, ALA74A, ALA74B, ALA75A, ALA75B, ARG18A, ARG18B, ARG25A, ARG25B, ASN103A, ASN103B, ASN42A, ASN42B, ASN66A, ASN66B, ASN69A, ASN69B, ASP23A, ASP23B, ASP27A, ASP27B, ASP55A, ASP55B, CYS109A, CYS109B, CYS111A, CYS111B, CYS44A, CYS44B, CYS48A, CYS77A, CYS77B, CYS78A, CYS78B, GLN100A, GLN100B, GLN19A, GLN19B, GLN57A, GLN57B, GLN67A, GLN67B, GLN81A, GLN81B, GLU84A, GLU84B, GLY29A, GLY29B, GLY46A, GLY46B, HIS40A, HIS40B, HIS68A, HIS68B, ILE105A, ILE105B, ILE22A, ILE22B, ILE33A, ILE33B, ILE88B, LEU101A, LEU101B, LEU20A, LEU20B, LEU28A, LEU28B, LEU45A, LEU45B, LEU62A, LEU62B, LEU64A, LEU64B, LEU83A, LEU83B, LEU86A, LEU86B, LYS110A, LYS110B, LYS26A, LYS26B, LYS31A, LYS60A, LYS60B, MET104A, MET104B, PHE24A, PHE24B, PHE43A, PHE43B, PRO76A, PRO76B, PRO80A, PRO80B, PRO85A, SER102A, SER102B, SER112A, SER112B, SER59A, SER59B, SER73A, SER73B, THR56A, THR56B, TRP30A, TRP30B, TRP32A, TRP32B, TYR21A, TYR21B, TYR39A, TYR39B, TYR50A, TYR50B, TYR58A, TYR58B, TYR65A, TYR65B, VAL106A, VAL106B, VAL17A, VAL17B, VAL61A, VAL61B, VAL79A, VAL79B
• A-E: ARG25A, ARG34E, ARG94A, ASP118E, ASP122E, ASP32E, CYS28E, CYS31E, CYS48E, CYS54E, CYS78E, GLU119E, GLU35A, GLU55E, GLU59E, GLU75E, GLY29A, GLY93A, HIS34A, HIS79E, ILE33A, ILE50E, ILE53E, LEU27E, LYS29E, LYS31A, LYS37A, LYS56E, LYS95A, LYS97A, PHE30E, PRO25E, PRO96A, SER117E, SER49E, SER52E, THR51E, THR76E, TRP30A, TRP32A, TYR85E, TYR90A, TYR91A, VAL33E, VAL77E, VAL89A, VAL92A
• A-I: ALA63I, ARG56I, ARG58I, ASN103A, ASP52I, ASP57I, GLN100A, GLU99A, GLY29A, GLY93A, ILE33A, ILE51I, ILE54I, ILE88A, LEU101A, LEU28A, LEU53I, LYS31A, LYS97A, MET104A, PHE60I, PRO55I, PRO59I, SER102A, TRP30A, TRP32A, TYR90A, TYR91A, VAL61I, VAL92A
• A-J: ALA1A, ALA63J, ASN14A, ASN44J, ASN5A, ASP20J, ASP3A, ASP52J, ASP55A, CYS109A, CYS14J, CYS15A, CYS16A, CYS17J, CYS24J, CYS62J, CYS7A, GLN57A, GLN67A, GLU12A, HIS15J, HIS43J, HIS68A, ILE42J, ILE48J, ILE51A, ILE51J, ILE54J, LEU16J, LEU2A, LEU53J, LEU54A, LEU64A, LYS110A, LYS13A, LYS19J, LYS60A, MET46J, PHE22J, PHE31J, PHE60J, PHE8A, PRO49A, PRO55J, PRO64J, SER10A, SER33J, SER45J, SER53A, SER65J, SER66J, SER9A, THR11A, THR18J, THR35J, THR37J, THR4A, THR56A, THR72J, THR74J, TRP52A, TYR50A, TYR58A, TYR6A, VAL32J, VAL61A, VAL61J, VAL71J
• A-C: ALA41A, ARG107A, ARG107C, ARG18C, ARG25A, ARG25C, ASN42A, ASN42C, ASN5A, ASN5C, ASP23A, ASP23C, ASP27A, ASP27C, CYS7A, CYS7C, GLN19A, GLN19C, GLU12A, GLU12C, GLY38A, GLY38C, HIS40A, HIS40C, ILE22A, ILE22C, LEU20A, LEU20C, LYS26A, LYS26C, LYS37A, LYS37C, PHE24A, PHE24C, PHE8A, PHE8C, SER10A, SER10C, SER9A, SER9C, THR11A, THR11C, THR4A, THR4C, TYR21A, TYR21C, TYR39A, TYR39C, TYR6A, TYR6C
• A-D: ASN69D, HIS68D, THR11A
• A-L: ARG25A, GLU35A, HIS34A, LYS19L, LYS37A, PHE22L, THR18L
• B-F: ARG25B, ARG34F, ARG94B, ASP118F, ASP122F, ASP32F, CYS120F, CYS28F, CYS31F, CYS48F, CYS54F, CYS78F, GLN26F, GLU119F, GLU35B, GLU55F, GLU59F, GLU75F, GLY29B, GLY93B, HIS34B, HIS79F, ILE33B, ILE50F, ILE53F, LEU27F, LYS29F, LYS31B, LYS37B, LYS56F, LYS95B, LYS97B, PHE30F, PRO25F, PRO96B, SER117F, SER49F, SER52F, THR51F, THR76F, TRP30B, TRP32B, TYR85F, TYR90B, TYR91B, VAL33F, VAL77F, VAL89B, VAL92B
• B-I: ALA1B, ALA63B, ALA63I, ASN14B, ASN44I, ASN5B, ASP20I, ASP3B, ASP52I, ASP55B, CYS109B, CYS14I, CYS15B, CYS16B, CYS17I, CYS47I, CYS62I, CYS7B, GLN57B, GLN67B, GLU12B, HIS15I, HIS43I, ILE42I, ILE48I, ILE51B, ILE51I, ILE54I, LEU16I, LEU2B, LEU53I, LEU54B, LEU64B, LYS110B, LYS19I, LYS60B, MET46I, PHE22I, PHE31I, PHE60I, PHE8B, PRO49B, PRO55I, PRO59I, SER10B, SER33I, SER45I, SER53B, SER9B, THR18I, THR4B, THR56B, THR72I, THR74I, TRP52B, TYR50B, TYR58B, TYR6B, VAL32I, VAL61B, VAL61I
• B-J: ALA63J, ARG56J, ARG58J, ASN103B, ASP52J, ASP57J, GLN100B, GLU99B, GLY29B, GLY93B, ILE33B, ILE51J, ILE54J, ILE88B, LEU101B, LEU28B, LEU53J, LYS31B, LYS97B, MET104B, PHE60J, PRO55J, PRO59J, SER102B, SER65J, SER66J, TRP30B, TRP32B, TYR90B, TYR91B, VAL61J, VAL92B
• B-C: ASN69B, HIS68B, THR11C
• E-I: ALA21E, ALA63I, ARG56I, ARG58I, ASN78I, ASP118E, ASP57I, ASP80I, CYS28E, CYS30I, CYS54E, CYS62I, CYS76I, CYS77I, CYS82I, GLN26E, GLN79I, GLU119E, GLU55E, GLY28I, ILE53E, LEU27E, LEU29I, LEU53I, LYS23E, LYS84I, PHE24E, PHE60I, PRO25E, PRO55I, PRO57E, PRO59I, SER52E, THR51E, THR74I, TYR75I, VAL22E, VAL61I
• E-L: ASN21L, ASN40E, ASN47E, ASN83L, ASP20L, ASP39E, ASP80L, CYS38E, CYS44E, CYS48E, CYS82L, GLN11L, GLN41E, GLN79L, HIS81L, LYS19L, LYS84L, MET45E, PHE13L, PHE22L, SER36E, SER43E, SER46E, SER49E, THR18L, THR23L, THR37E, VAL25L
• F-J: ALA21F, ALA63J, ARG56J, ARG58J, ASN78J, ASP118F, ASP57J, CYS28F, CYS30J, CYS54F, CYS62J, CYS76J, CYS77J, CYS82J, GLN26F, GLN79J, GLU119F, GLU55F, GLY28J, ILE48J, ILE53F, ILE54J, LEU10J, LEU27F, LEU29J, LEU53J, LYS23F, LYS84J, PHE24F, PHE31J, PHE60J, PRO25F, PRO55J, PRO57F, PRO59J, PRO64J, SER52F, TYR75J, VAL22F, VAL32J, VAL61J
• J-C: ARG25C, HIS34C, LYS19J, LYS37C, PHE22J, THR18J
• J-G: ASN21J, ASN40G, ASN47G, ASN83J, ASP20J, ASP39G, ASP80J, CYS17J, CYS38G, CYS44G, CYS48G, CYS82J, GLN11J, GLN41G, GLN79J, HIS81J, LYS19J, LYS42G, LYS84J, MET45G, PHE13J, PHE22J, SER36G, SER43G, SER46G, SER49G, THR18J, THR23J, THR37G, VAL25J
• C-D: ALA41C, ALA41D, ALA63C, ALA63D, ALA72C, ALA72D, ALA74C, ALA74D, ALA75C, ALA75D, ARG18C, ARG18D, ARG25C, ARG25D, ASN103C, ASN103D, ASN42C, ASN42D, ASN66C, ASN66D, ASN69C, ASN69D, ASP23C, ASP23D, ASP27C, ASP27D, ASP55C, ASP55D, CYS109D, CYS111C, CYS111D, CYS44C, CYS44D, CYS77C, CYS77D, CYS78C, CYS78D, GLN100C, GLN100D, GLN19C, GLN19D, GLN57C, GLN57D, GLN67C, GLN67D, GLN81C, GLU84C, GLU84D, GLY29C, GLY29D, GLY46C, GLY46D, HIS40C, HIS40D, HIS68C, HIS68D, ILE105C, ILE105D, ILE22C, ILE22D, ILE33C, ILE33D, ILE88C, ILE88D, LEU101C, LEU101D, LEU20C, LEU20D, LEU28C, LEU28D, LEU45C, LEU45D, LEU62C, LEU62D, LEU64C, LEU64D, LEU83C, LEU83D, LEU86C, LEU86D, LYS110C, LYS110D, LYS26C, LYS26D, LYS31C, LYS60C, LYS60D, MET104C, MET104D, PHE24C, PHE24D, PHE43C, PHE43D, PRO76C, PRO76D, PRO80C, PRO80D, PRO85C, PRO85D, SER102C, SER102D, SER112C, SER112D, SER59C, SER59D, SER73C, SER73D, THR56C, THR56D, TRP30C, TRP30D, TRP32C, TRP32D, TYR21C, TYR21D, TYR39C, TYR39D, TYR50C, TYR50D, TYR58C, TYR58D, TYR65C, TYR65D, VAL106C, VAL106D, VAL17C, VAL17D, VAL61C, VAL61D, VAL79C, VAL79D
• C-G: ARG25C, ARG34G, ARG94C, ASP118G, ASP122G, ASP32G, CYS28G, CYS31G, CYS48G, CYS54G, CYS78G, GLN26G, GLU119G, GLU55G, GLU59G, GLU75G, GLY29C, GLY93C, HIS34C, HIS79G, ILE33C, ILE50G, ILE53G, LEU27G, LYS29G, LYS31C, LYS37C, LYS56G, LYS95C, LYS97C, PHE30G, PRO25G, PRO96C, SER49G, SER52G, THR51G, THR76G, TRP30C, TRP32C, TYR85G, TYR90C, TYR91C, VAL33G, VAL77G, VAL89C, VAL92C
• C-K: ALA63K, ARG56K, ARG58K, ASP52K, ASP57K, GLN100C, GLU99C, GLY29C, GLY93C, ILE33C, ILE51K, ILE54K, ILE88C, LEU101C, LEU28C, LYS31C, LYS97C, MET104C, PHE60K, PRO55K, PRO59K, SER102C, TRP30C, TRP32C, TYR90C, TYR91C, VAL61K, VAL92C
• C-L: ALA1C, ALA49L, ALA63C, ALA63L, ASN14C, ASN44L, ASN5C, ASP20L, ASP3C, ASP52L, ASP55C, CYS109C, CYS14L, CYS15C, CYS16C, CYS17L, CYS24L, CYS62L, CYS7C, GLN57C, GLN67C, GLU12C, HIS15L, HIS43L, HIS68C, ILE42L, ILE48L, ILE51C, ILE51L, ILE54L, LEU16L, LEU2C, LEU53L, LEU54C, LEU64C, LYS110C, LYS13C, LYS19L, LYS60C, MET46L, PHE22L, PHE31L, PHE60L, PHE8C, PRO49C, PRO55L, PRO64L, SER108C, SER10C, SER33L, SER45L, SER53C, SER65L, SER66L, SER9C, THR11C, THR18L, THR35L, THR4C, THR56C, THR72L, THR74L, TRP52C, TYR50C, TYR58C, TYR6C, VAL32L, VAL61C, VAL61L, VAL71L
• D-H: ARG25D, ARG34H, ARG94D, ASP118H, ASP122H, ASP32H, CYS120H, CYS28H, CYS31H, CYS48H, CYS54H, CYS78H, GLN26H, GLU119H, GLU35D, GLU55H, GLU59H, GLU75H, GLY29D, GLY93D, HIS34D, HIS79H, ILE33D, ILE50H, ILE53H, LEU27H, LYS29H, LYS31D, LYS37D, LYS56H, LYS95D, LYS97D, PHE30H, PRO25H, PRO96D, SER117H, SER49H, SER52H, THR51H, THR76H, TRP30D, TRP32D, TYR85H, TYR90D, TYR91D, VAL33H, VAL77H, VAL89D, VAL92D
• D-K: ALA1D, ALA49K, ALA63D, ALA63K, ASN14D, ASN44K, ASN5D, ASP20K, ASP3D, ASP52K, ASP55D, CYS109D, CYS14K, CYS15D, CYS16D, CYS17K, CYS47K, CYS62K, CYS7D, GLN57D, GLN67D, GLU12D, HIS15K, HIS43K, ILE42K, ILE48K, ILE51D, ILE51K, ILE54K, LEU16K, LEU2D, LEU53K, LEU54D, LEU64D, LYS19K, LYS60D, MET46K, PHE22K, PHE31K, PHE60K, PHE8D, PRO49D, PRO55K, SER10D, SER33K, SER45K, SER53D, SER9D, THR18K, THR4D, THR56D, THR72K, THR74K, TRP52D, TYR50D, TYR58D, TYR6D, VAL32K, VAL61D, VAL61K
• D-L: ALA63L, ARG56L, ARG58L, ASN103D, ASP52L, ASP57L, GLN100D, GLU99D, GLY29D, ILE33D, ILE51L, ILE54L, ILE88D, LEU101D, LEU28D, LEU53L, LYS31D, LYS97D, MET104D, PHE60L, PRO55L, PRO59L, SER102D, SER65L, SER66L, TRP30D, TRP32D, TYR90D, VAL61L, VAL92D
• G-K: ALA21G, ALA63K, ARG56K, ARG58K, ASN78K, ASN83K, ASP118G, ASP57K, ASP80K, CYS30K, CYS54G, CYS62K, CYS76K, CYS77K, CYS82K, GLN26G, GLN79K, GLU119G, GLU55G, GLY20G, GLY28K, ILE53G, ILE54K, LEU27G, LEU29K, LEU53K, LYS23G, LYS84K, PHE24G, PHE31K, PHE60K, PRO25G, PRO55K, PRO57G, PRO59K, SER52G, THR51G, THR74K, TYR75K, VAL22G, VAL32K, VAL61K
• H-L: ALA21H, ALA63L, ARG56L, ARG58L, ASN78L, ASP118H, ASP57L, CYS28H, CYS30L, CYS54H, CYS62L, CYS76L, CYS77L, CYS82L, GLN26H, GLN79L, GLU119H, GLU55H, GLY28L, ILE48L, ILE53H, ILE54L, LEU10L, LEU27H, LEU29L, LEU53L, LYS23H, LYS84L, PHE24H, PHE31L, PHE60L, PRO25H, PRO55L, PRO57H, PRO59L, PRO64L, SER52H, THR51H, TYR75L, VAL22H, VAL32L, VAL61L