3HM2

crystal structure of putative precorrin-6y c5,15- methyltransferase targeted domain from corynebacterium diphtheriae

• Total interactions analyzed: 28
• Total true interactions: 17
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 100
  • Norm. En. per Res.: -4.0938
• Hub Node: B(5)

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	0.0	28.7771	-37.481	-8.7039	27	5	0	1804	0	10	4
A-C	-102.7218	-83.9253	-214.378	-401.0251	106	24	7	9286	5	11	21
A-D	-26.0267	0.0	-133.098	-159.1247	56	10	2	5421	0	7	7
B-C	-31.6007	0.0	-147.077	-178.6777	58	12	2	5680	0	8	6
B-D	-144.4835	-57.4278	-207.468	-409.3793	100	28	7	8891	4	7	20
B-F	-8.7309	0.0	-35.5879	-44.3188	27	2	0	1545	0	4	6
B-G	0.0	118.489	-34.9653	83.5237	29	2	0	1547	0	18	18
B-H	0.0	0.0	-0.0034	-0.0034	2	0	0	2	0	0	1
C-D	0.0	8.8177	-46.7907	-37.973	29	2	0	1741	1	10	4
D-F	-18.6228	1.4184	-65.6705	-82.8749	52	12	0	3379	2	26	30
D-G	0.0	11.2018	-15.6718	-4.47	17	5	0	734	0	2	4
E-F	0.0	21.3917	-32.4618	-11.0701	28	5	0	1359	0	9	4
E-G	-96.5722	-41.4374	-192.425	-330.4346	98	17	7	7839	2	7	19
E-H	-33.9634	0.0	-105.362	-139.3254	56	11	3	5339	0	6	8
F-G	-40.6726	0.0	-137.992	-178.6646	57	15	2	5552	0	6	9
F-H	-69.8309	-41.8479	-190.806	-302.4848	100	17	7	8219	2	11	19
G-H	-7.9946	20.7646	-54.3517	-41.5817	31	5	0	1969	1	10	4

Interface residues

• A-B: ALA135A, ALA135B, ARG137A, ARG137B, GLN131A, GLN131B, GLU128A, GLU128B, GLU130A, GLU130B, HIS168A, HIS168B, ILE144A, ILE144B, LEU133A, LEU133B, LEU136A, LYS138A, LYS138B, PRO166A, PRO166B, SER146A, SER146B, TRP134A, TRP134B, VAL127A, VAL127B
• A-C: ALA12A, ALA12C, ALA148A, ALA148C, ALA14A, ALA14C, ALA164A, ALA164C, ALA17A, ALA17C, ALA19A, ALA19C, ARG11A, ARG11C, ARG137A, ARG137C, ARG42A, ARG42C, GLN169A, GLN169C, GLN8A, GLN8C, GLU152A, GLU152C, GLU39A, GLU39C, GLY141A, GLY141C, GLY142A, GLY142C, GLY3A, GLY3C, HIS151A, HIS151C, HIS153A, HIS153C, HIS168A, HIS168C, HIS9A, HIS9C, ILE144A, ILE144C, ILE149A, ILE149C, ILE159A, ILE159C, ILE15A, ILE15C, LEU13A, LEU13C, LEU18A, LEU18C, LEU5A, LEU5C, LYS138A, LYS138C, LYS162A, LYS162C, LYS21A, LYS21C, PHE147A, PHE147C, PHE158A, PRO163A, PRO163C, PRO166A, PRO166C, PRO20A, PRO20C, PRO22A, PRO22C, PRO45A, PRO45C, SER145A, SER145C, SER146A, SER146C, SER150A, SER150C, SER157A, SER16A, SER16C, SER43A, SER43C, THR143A, THR143C, THR154A, THR154C, THR160A, THR160C, THR171A, THR171C, THR44A, THR44C, THR6A, THR6C, TRP134A, TRP134C, TRP170A, TRP170C, VAL10A, VAL10C, VAL121A, VAL121C, VAL167A, VAL167C
• A-D: ALA103A, ALA103D, ALA124A, ALA148A, ALA148D, ALA164A, ALA164D, GLN131A, GLU128A, GLU128D, GLU130A, GLU130D, GLU152A, GLU152D, GLY100A, GLY100D, HIS151A, HIS151D, HIS153A, HIS153D, ILE149A, ILE149D, ILE159A, ILE159D, LEU101A, LEU101D, LEU165A, LEU165D, LYS162A, LYS162D, PHE158A, PHE158D, PRO104D, PRO163A, PRO163D, PRO166A, PRO166D, SER129A, SER129D, SER150A, SER150D, SER157A, SER157D, THR102A, THR102D, THR126A, THR126D, THR154A, THR154D, THR160A, THR160D, VAL125A, VAL125D, VAL127A, VAL127D, VAL155A
• B-C: ALA103B, ALA103C, ALA124B, ALA124C, ALA148B, ALA148C, ALA164B, ALA164C, GLN131B, GLN131C, GLU128B, GLU128C, GLU130B, GLU130C, GLU152B, GLU152C, GLY100C, HIS151B, HIS151C, HIS153B, HIS153C, HIS168B, ILE149B, ILE149C, ILE159B, ILE159C, LEU101B, LEU101C, LEU165B, LEU165C, LYS162B, LYS162C, PHE158B, PHE158C, PRO163B, PRO163C, PRO166B, PRO166C, SER129B, SER129C, SER150B, SER150C, SER157B, SER157C, THR102B, THR102C, THR126B, THR126C, THR154B, THR154C, THR160B, THR160C, VAL125B, VAL125C, VAL127B, VAL127C, VAL155B, VAL155C
• B-D: ALA12B, ALA12D, ALA148B, ALA148D, ALA14B, ALA14D, ALA164B, ALA164D, ALA17B, ALA17D, ALA19B, ALA19D, ARG119D, ARG11B, ARG11D, ARG137B, ARG137D, ARG42B, ARG42D, GLN169B, GLN169D, GLN8B, GLN8D, GLU152B, GLU152D, GLU39B, GLU39D, GLY141B, GLY141D, GLY142B, GLY142D, HIS151B, HIS151D, HIS153B, HIS153D, HIS168B, HIS168D, HIS9B, HIS9D, ILE144B, ILE144D, ILE149B, ILE149D, ILE159B, ILE159D, ILE15B, ILE15D, LEU13B, LEU13D, LEU18B, LEU18D, LEU5B, LEU5D, LYS138B, LYS138D, LYS162B, LYS162D, LYS21B, LYS21D, PHE147B, PHE147D, PHE158D, PRO163B, PRO163D, PRO166B, PRO166D, PRO20D, PRO22D, PRO45B, SER145B, SER145D, SER146B, SER146D, SER150B, SER150D, SER16B, SER16D, SER43B, SER43D, THR143B, THR143D, THR154B, THR154D, THR160B, THR160D, THR171B, THR171D, THR44B, THR6B, THR6D, TRP134B, TRP134D, TRP170B, TRP170D, VAL10B, VAL10D, VAL121B, VAL121D, VAL167B, VAL167D
• B-F: ALA49B, ARG74B, ASP73B, ASP90B, GLN46B, GLU152F, GLU24B, GLY156F, GLY3F, HIS151F, HIS153F, HIS23B, ILE159F, LEU41B, LYS162F, PHE158F, PRO22B, PRO45B, SER157F, THR154F, THR160F, THR25B, THR44B, THR47B, THR48B, VAL155F, VAL71B
• B-G: ALA76B, ARG58G, ARG59B, ARG59G, ARG61B, ARG61G, ASN65B, ASN68B, ASP73B, GLN4G, GLU53G, GLU56B, GLU56G, GLU57B, GLU57G, GLU60B, GLU60G, GLY70B, ILE54G, ILE67B, ILE75B, LEU165G, LEU63B, LYS7G, SER55G, SER64B, SER72B, VAL125G, VAL77B
• B-H: ARG137H, HIS23B
• C-D: ALA135C, ALA135D, ALA148C, ALA148D, ARG137C, ARG137D, GLN131C, GLN131D, GLU128C, GLU128D, GLU130C, GLU130D, HIS168C, HIS168D, ILE144C, ILE144D, LEU133C, LEU133D, LYS138C, LYS138D, PRO166C, PRO166D, SER129D, SER146C, SER146D, TRP134C, TRP134D, VAL127C, VAL127D
• D-F: ALA66D, ALA76D, ARG11F, ARG58D, ARG58F, ARG59D, ARG59F, ARG61D, ARG61F, ARG74D, ASN65D, ASN65F, ASN68D, ASP73D, ASP87D, CYS51D, GLN46D, GLN4F, GLN78D, GLN79D, GLU53D, GLU53F, GLU56D, GLU56F, GLU57F, GLU60D, GLU60F, GLY34F, GLY3F, GLY70D, HIS23D, ILE54F, ILE62D, ILE62F, ILE67D, ILE75D, LEU165F, LEU41D, LEU63D, LEU69D, LYS162F, LYS7F, SER35F, SER55D, SER55F, SER64D, SER64F, SER72D, THR126F, VAL125F, VAL71D, VAL77D
• D-G: ASP90D, ASP93D, GLN46D, GLU24D, GLY156G, HIS153G, HIS23D, LYS162G, PHE158G, PRO22D, SER157G, THR154G, THR160G, THR25D, THR47D, THR48D, VAL155G
• E-F: ALA135E, ALA135F, ARG137E, ARG137F, GLN131E, GLN131F, GLU128E, GLU128F, GLU130E, GLU130F, HIS168E, HIS168F, ILE144E, ILE144F, LEU133E, LEU133F, LEU136E, LEU136F, LYS138E, LYS138F, PRO166E, PRO166F, SER146E, SER146F, TRP134E, TRP134F, VAL127E, VAL127F
• E-G: ALA12E, ALA12G, ALA148E, ALA148G, ALA14E, ALA14G, ALA164E, ALA164G, ALA17E, ALA17G, ALA19E, ALA19G, ARG11E, ARG11G, ARG137E, ARG137G, ARG42E, ARG42G, GLN169E, GLN169G, GLN8E, GLN8G, GLU152E, GLU152G, GLU39E, GLU39G, GLY142E, GLY142G, GLY3E, HIS151E, HIS151G, HIS153E, HIS153G, HIS168E, HIS168G, HIS9E, HIS9G, ILE144E, ILE144G, ILE149E, ILE149G, ILE159E, ILE159G, ILE15E, ILE15G, LEU13E, LEU13G, LEU18E, LEU18G, LEU5E, LEU5G, LYS138G, LYS162E, LYS162G, LYS21E, LYS21G, PHE147E, PHE147G, PHE158E, PHE158G, PRO163E, PRO163G, PRO166E, PRO166G, PRO20E, PRO45E, PRO45G, SER145E, SER145G, SER146E, SER146G, SER150E, SER150G, SER157E, SER16E, SER16G, SER43E, SER43G, THR143E, THR143G, THR154E, THR154G, THR160E, THR160G, THR171E, THR171G, THR44E, THR44G, THR6E, THR6G, TRP134E, TRP134G, TRP170E, TRP170G, VAL10E, VAL10G, VAL167E, VAL167G
• E-H: ALA103E, ALA103H, ALA124H, ALA148E, ALA148H, ALA164E, ALA164H, GLN131H, GLU128E, GLU128H, GLU130E, GLU130H, GLU152E, GLU152H, GLY100H, GLY156H, GLY99H, HIS151E, HIS151H, HIS153E, HIS153H, HIS168H, ILE149E, ILE149H, ILE159E, ILE159H, LEU101H, LEU165E, LEU165H, LYS162E, LYS162H, PHE158E, PHE158H, PRO104E, PRO163E, PRO163H, PRO166E, PRO166H, SER129E, SER129H, SER150E, SER150H, SER157E, SER157H, THR102E, THR102H, THR126E, THR126H, THR154E, THR160E, THR160H, VAL125E, VAL125H, VAL127E, VAL127H, VAL155E
• F-G: ALA103G, ALA124F, ALA148F, ALA148G, ALA164F, ALA164G, GLN131F, GLN131G, GLU128F, GLU128G, GLU130F, GLU130G, GLU152F, GLU152G, GLY100G, GLY156G, GLY99G, HIS151F, HIS151G, HIS153F, HIS153G, HIS168G, ILE149F, ILE149G, ILE159F, ILE159G, LEU101G, LEU165F, LEU165G, LYS162F, LYS162G, PHE158F, PHE158G, PRO104G, PRO163F, PRO163G, PRO166F, PRO166G, SER129F, SER129G, SER150F, SER150G, SER157F, SER157G, THR102F, THR102G, THR126F, THR126G, THR154F, THR160F, THR160G, VAL125F, VAL125G, VAL127F, VAL127G, VAL155F, VAL155G
• F-H: ALA12F, ALA12H, ALA148F, ALA148H, ALA14F, ALA14H, ALA164F, ALA164H, ALA17F, ALA17H, ALA19F, ALA19H, ARG11F, ARG11H, ARG137F, ARG137H, ARG42F, ARG42H, GLN169F, GLN169H, GLN46H, GLN8F, GLN8H, GLU152F, GLU152H, GLU39F, GLU39H, GLY141F, GLY141H, GLY142F, GLY142H, GLY3F, HIS151F, HIS151H, HIS153F, HIS153H, HIS168F, HIS168H, HIS9F, HIS9H, ILE144F, ILE144H, ILE149F, ILE149H, ILE159F, ILE159H, ILE15F, ILE15H, LEU13F, LEU13H, LEU18F, LEU18H, LEU5F, LEU5H, LYS138F, LYS138H, LYS162F, LYS162H, LYS21F, LYS21H, LYS7F, PHE147F, PHE147H, PRO163F, PRO163H, PRO166F, PRO166H, PRO20F, PRO20H, PRO45F, PRO45H, SER145F, SER145H, SER146F, SER146H, SER150F, SER150H, SER16F, SER16H, SER43F, SER43H, THR143F, THR143H, THR154F, THR160F, THR160H, THR171F, THR171H, THR44F, THR44H, THR6F, THR6H, TRP134F, TRP134H, TRP170F, TRP170H, VAL10F, VAL10H, VAL167F, VAL167H
• G-H: ALA135G, ALA135H, ARG137G, ARG137H, GLN131G, GLN131H, GLU128G, GLU128H, GLU130G, GLU130H, HIS168G, HIS168H, ILE144G, ILE144H, LEU133G, LEU133H, LEU136G, LEU136H, LYS138G, LYS138H, PRO166G, PRO166H, SER129G, SER129H, SER146G, SER146H, THR126H, TRP134G, TRP134H, VAL127G, VAL127H