3IEI

crystal structure of human leucine carboxylmethyltransferase-1 in complex with s-adenosyl homocysteine

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 86
  • Norm. En. per Res.: -2.3474
• 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	-72.8394	33.6703	-139.397	-178.5661	97	9	0	5816	2	44	41
A-C	-10.3524	-4.8286	-18.3861	-33.5671	31	2	0	823	1	24	14
A-F	0.0	-32.3674	-44.4368	-76.8042	34	0	2	1818	1	16	20
A-G	0.0	7.6234	-46.4616	-38.8382	34	0	1	1881	2	15	18
B-D	0.0	-15.2908	-0.7422	-16.033	17	0	0	135	0	15	11
B-E	0.0	0.0	-12.6159	-12.6159	30	0	0	807	0	9	9
B-F	0.0	0.0	-30.0661	-30.0661	36	2	0	1411	0	14	11
C-D	-35.8213	-8.1732	-157.878	-201.8726	86	7	0	6950	4	19	64
C-F	0.0	0.0	-0.0929	-0.0929	2	0	0	18	0	5	2
C-H	0.0	2.1576	-55.5773	-53.4197	45	1	1	2429	0	15	16
D-E	-16.31	16.9018	-56.3964	-55.8046	27	3	0	1671	1	12	18
D-F	0.0	-3.2481	-0.3453	-3.5934	8	0	0	54	0	10	8
D-H	0.0	0.0	-4.1045	-4.1045	22	1	0	414	0	6	9
E-F	-39.8085	-7.4227	-157.097	-204.3282	88	8	0	7018	4	19	64
F-G	-23.295	-21.8981	-50.2364	-95.4295	45	5	0	2203	3	31	21

Interface residues

• A-B: ALA276A, ALA276B, ALA278A, ALA278B, ALA291A, ALA291B, ALA320A, ALA320B, ARG287A, ARG287B, ARG290A, ARG290B, ARG313A, ARG313B, ASN232A, ASN232B, ASN286A, ASN286B, ASN325A, ASN325B, ASP235A, ASP235B, ASP280A, ASP280B, GLN310A, GLN310B, GLN79A, GLN79B, GLU262A, GLU262B, GLU266A, GLU266B, GLU274A, GLU274B, GLU283A, GLU283B, GLU292B, GLU309A, GLU309B, GLU331A, GLU331B, GLY234A, GLY234B, GLY328A, GLY328B, HIS314A, HIS314B, ILE332A, ILE332B, LEU261A, LEU261B, LEU269A, LEU269B, LEU284A, LEU284B, LEU288A, LEU288B, LEU317B, LEU80A, LEU80B, LYS259A, LYS259B, LYS265A, LYS265B, LYS330A, LYS330B, LYS87A, LYS87B, MET233A, MET233B, MET282A, MET282B, PRO289A, PRO289B, SER260A, SER260B, SER263A, SER263B, SER277A, SER277B, THR275A, THR275B, THR321A, THR321B, THR333A, THR333B, TRP273A, TRP273B, TRP319A, TRP319B, TYR334A, TYR334B, VAL231A, VAL231B, VAL279A, VAL279B, VAL293B
• A-C: ALA63C, ARG222A, ARG236C, ARG61C, ASN186A, ASN188A, ASP161A, ASP303C, CYS185A, GLN190A, GLN310C, GLU146A, GLU150A, GLU221A, GLU304C, GLU306C, GLU326A, HIS148A, HIS91A, LEU147A, LEU191A, LEU302C, LEU307C, LEU327A, LYS117A, LYS163A, LYS183A, PHE237C, PRO192A, SER149A, THR189A
• A-F: ALA291A, ALA291F, ARG107A, ARG290A, ARG290F, ARG295A, ARG68F, ASP110A, ASP112A, ASP303F, GLU111A, GLU292A, GLU297A, GLU297F, GLU300F, HIS47A, HIS75A, ILE296A, ILE43F, LEU299A, LEU299F, LEU302F, LYS109A, LYS82A, PHE301F, PRO289A, PRO49A, SER294A, SER294F, SER298A, SER298F, TRP106A, TYR50A, VAL293A
• A-G: ALA216G, ALA291A, ARG295A, ARG61A, ARG68A, ASN211G, ASN218G, ASP174G, ASP303A, GLN190G, GLU177G, GLU179G, GLU180G, GLU297A, GLU300A, ILE296A, LEU175G, LEU178G, LEU212G, LEU299A, LEU302A, LYS181G, LYS183G, LYS184G, LYS214G, MET305A, PHE301A, PRO64A, SER176G, SER219G, SER294A, SER298A, THR189G, TRP215G
• B-D: ARG236B, ARG247B, ASP112D, ASP151D, GLU111D, GLU146D, GLU150D, GLU243B, GLU306B, HIS148D, ILE240B, LEU113D, LEU147D, LEU307B, LYS163D, PHE237B, SER149D
• B-E: ALA40E, ARG295E, ARG38E, ARG61B, ASP48E, GLN52E, GLU297B, GLU300B, GLU60B, GLY44E, HIS47E, HIS53E, ILE43B, ILE43E, ILE51E, LEU299B, LEU299E, LEU57B, LEU57E, LYS137E, LYS59B, PHE301B, PHE39E, PRO138E, PRO139E, PRO49E, SER298B, SER42B, SER42E, VAL41E
• B-F: ALA291B, ALA40F, ARG290B, ARG295B, ARG38F, ARG56F, ARG68B, ASN67F, ASP303B, GLN52F, GLU297B, GLU300B, GLU300F, GLY44F, HIS47F, HIS53F, ILE43F, LEU140F, LEU299F, LEU302B, LEU57F, LYS137F, LYS59F, MET305B, PHE301B, PHE39F, PRO138F, PRO139F, PRO49F, SER294B, SER298B, SER298F, SER42F, TYR45F, TYR50F, VAL41F
• C-D: ARG129C, ARG129D, ARG27C, ARG27D, ARG38C, ARG38D, ARG56C, ARG56D, ASP156C, ASP156D, CYS136C, CYS136D, CYS30C, CYS30D, GLN154D, GLN249C, GLN249D, GLN52C, GLN52D, GLU31C, GLU31D, GLY157C, GLY157D, GLY25C, GLY25D, GLY28C, GLY28D, HIS132C, HIS132D, HIS158C, HIS158D, HIS53C, HIS53D, ILE126C, ILE126D, ILE134C, ILE134D, ILE159C, ILE51D, LEU131C, LEU131D, LEU140C, LEU140D, LEU145C, LEU153C, LEU153D, LEU35C, LEU35D, LEU57C, LEU57D, LYS130C, LYS130D, LYS135C, LYS135D, LYS137C, LYS137D, LYS59C, LYS59D, MET101C, MET101D, MET125C, MET125D, MET155C, MET155D, PHE54C, PHE54D, PRO124C, PRO124D, PRO138C, PRO138D, PRO139D, SER133C, SER133D, SER141C, SER141D, SER142C, SER34C, SER34D, THR128C, THR128D, THR152C, THR152D, VAL127C, VAL127D, VAL55C, VAL55D
• C-F: ASP112F, GLN249C
• C-H: ALA291H, ALA40C, ARG290H, ARG295C, ARG295H, ARG38C, ARG61H, ARG68H, ASP110C, ASP303H, ASP48C, GLN52C, GLU292H, GLU297H, GLU300H, GLY44C, HIS47C, HIS53C, ILE43C, ILE51C, LEU140C, LEU299C, LEU299H, LEU302H, LEU57C, LYS137C, LYS59C, MET305H, PHE301H, PHE39C, PRO138C, PRO139C, PRO143C, PRO289H, PRO49C, SER142C, SER294H, SER298H, SER42C, TRP106C, TRP46C, TYR45C, TYR50C, VAL293H, VAL41C
• D-E: ALA63E, ARG222D, ARG61E, ASN188D, ASN325D, ASP303E, GLN190D, GLU221D, GLU300E, GLU304E, GLU326D, GLU60E, GLY323D, GLY324D, GLY328D, HIS91D, LEU191D, LEU302E, LEU327D, LYS330D, LYS59E, LYS62E, PHE301E, PHE39E, PRO192D, PRO64E, THR189D
• D-F: ASN186D, ASP151F, GLU146F, GLU179D, GLU180D, LYS183D, LYS184D, SER149F
• D-H: ARG295D, ARG38D, ARG38H, ARG61H, GLN52D, GLY44D, HIS47D, ILE43D, ILE43H, LEU299D, LEU299H, LEU57D, LEU57H, LYS137D, LYS59D, LYS59H, PRO49D, SER298H, SER42D, SER42H, SER58D, VAL41D
• E-F: ARG129E, ARG129F, ARG27E, ARG27F, ARG38E, ARG38F, ARG56E, ARG56F, ASP156E, ASP156F, ASP32E, CYS136E, CYS136F, CYS30E, CYS30F, GLN249E, GLN52E, GLN52F, GLU31E, GLU31F, GLY157E, GLY157F, GLY25E, GLY25F, GLY28E, GLY28F, HIS132E, HIS132F, HIS158E, HIS158F, HIS53E, HIS53F, ILE126E, ILE126F, ILE134E, ILE134F, ILE159F, ILE51E, LEU131E, LEU131F, LEU140E, LEU140F, LEU145F, LEU153E, LEU35E, LEU35F, LEU57E, LEU57F, LYS130E, LYS130F, LYS135E, LYS135F, LYS137E, LYS137F, LYS59E, LYS59F, MET101E, MET101F, MET125E, MET125F, MET155E, MET155F, PHE54E, PHE54F, PRO124E, PRO124F, PRO138E, PRO138F, PRO139E, PRO139F, SER133E, SER133F, SER141E, SER141F, SER142E, SER142F, SER34E, SER34F, SER58E, SER58F, THR128E, THR128F, THR152E, THR152F, VAL127E, VAL127F, VAL55E, VAL55F
• F-G: ALA63F, ARG164G, ARG222G, ARG236F, ARG247F, ARG61F, ARG68F, ASN186G, ASN188G, ASP303F, CYS185G, GLN190G, GLN310F, GLN93G, GLU146G, GLU221G, GLU300F, GLU304F, GLU306F, GLU326G, GLU60F, GLU65F, GLU89G, GLY323G, GLY324G, HIS91G, ILE240F, ILE66F, LEU147G, LEU191G, LEU302F, LEU307F, LEU327G, LYS117G, LYS163G, LYS183G, MET187G, MET305F, PHE237F, PHE301F, PRO192G, PRO64F, SER116G, SER149G, THR189G