3D7J

sco6650, a 6-pyruvoyltetrahydropterin synthase homolog from streptomyces coelicolor

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 79
  • Norm. En. per Res.: -3.8301
• Hub Node: A(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	-65.9839	-1.2315	-221.203	-288.4184	82	11	7	8220	0	19	27
A-C	0.0	4.0693	-6.5721	-2.5028	6	0	0	348	0	0	3
A-D	-39.4872	57.8604	-281.618	-263.2448	82	11	5	9787	0	24	29
A-E	0.0	0.0	-0.0607	-0.0607	10	0	0	28	0	4	5
A-F	-77.7436	-4.2959	-216.845	-298.8844	79	10	7	7971	0	20	25
B-C	0.0	0.0	-0.0604	-0.0604	10	0	0	24	0	4	5
B-D	0.0	4.0091	-5.8333	-1.8242	6	0	0	332	0	0	3
B-E	-34.0233	47.5392	-288.977	-275.4611	82	10	5	9939	0	24	29
B-F	-78.7135	-3.265	-218.403	-300.3815	82	15	7	8151	0	20	26
C-D	-79.7036	-7.2144	-215.657	-302.575	79	16	7	8149	0	19	25
C-E	-76.1172	-9.9482	-219.301	-305.3665	83	12	8	8124	0	21	26
C-F	-31.1387	54.1165	-288.562	-265.5841	80	10	5	9769	0	24	28
D-E	-60.8558	2.5871	-206.842	-265.1107	82	11	7	8131	0	19	26
D-F	0.0	0.0	-0.0302	-0.0302	10	0	0	16	0	4	5
E-F	0.0	4.061	-6.4923	-2.4314	6	0	0	345	0	0	3

Interface residues

• A-B: ALA124B, ALA126B, ALA131B, ALA24B, ALA36A, ALA88B, ALA92B, ARG130B, ARG17B, ARG39A, ARG40A, ARG7A, ASN47A, ASN81B, ASP19B, ASP35A, ASP44A, ASP46A, ASP51A, ASP8A, ASP93B, GLN42A, GLU120B, GLU129B, GLU41A, GLU45A, GLU85B, GLY105A, GLY113B, GLY18B, GLY22B, GLY53A, GLY79B, HIS0A, HIS119A, HIS119B, HIS122B, HIS9A, ILE48A, ILE4A, ILE52A, LEU104A, LEU114B, LEU118B, LEU132B, LEU33A, LEU43A, LEU54A, LEU59A, LEU87B, LYS89B, PHE16B, PHE21B, PHE2A, PHE38A, PHE77B, PHE86B, PRO23B, SER-1A, SER121B, SER127B, SER3A, SER83B, THR115B, THR117A, THR117B, THR37A, THR56A, THR5A, THR82B, THR84B, TRP125B, TYR128B, VAL116B, VAL123B, VAL20B, VAL34A, VAL49A, VAL50A, VAL6A, VAL80B, VAL90B
• A-C: HIS122A, HIS122C, TRP125A, TRP125C, VAL123A, VAL123C
• A-D: ALA124A, ALA124D, ALA13A, ALA13D, ALA24A, ALA24D, ALA30A, ALA30D, ALA65A, ALA65D, ARG26A, ARG26D, ARG69A, ARG69D, ARG7A, ARG7D, ASN67A, ASN67D, ASN70A, ASN70D, ASN73A, ASN73D, ASP35A, ASP35D, ASP72A, ASP72D, ASP8A, ASP8D, GLN25A, GLN25D, GLU120A, GLU120D, GLU74A, GLU74D, GLY22A, GLY22D, GLY29A, GLY29D, GLY64A, GLY64D, HIS119A, HIS119D, HIS122A, HIS122D, HIS14A, HIS14D, HIS28A, HIS28D, HIS9A, HIS9D, ILE10A, ILE10D, ILE12A, ILE12D, LEU27A, LEU27D, LEU33A, LEU33D, LEU66A, LEU66D, LEU71A, LEU71D, PHE16A, PHE16D, PHE21A, PHE21D, PHE32A, PHE32D, PRO23A, PRO23D, SER121A, SER121D, SER15A, SER15D, THR31A, THR31D, TYR68A, TYR68D, VAL123A, VAL123D, VAL34A, VAL34D
• A-E: ARG7A, ARG7E, HIS9A, HIS9E, ILE52A, ILE52E, THR56A, THR56E, TYR68A, TYR68E
• A-F: ALA124A, ALA126A, ALA131A, ALA36F, ALA88A, ALA92A, ARG130A, ARG17A, ARG39A, ARG39F, ARG40F, ARG7F, ASN47F, ASN81A, ASP19A, ASP35F, ASP44F, ASP46F, ASP51F, ASP8F, ASP93A, GLN42F, GLU120A, GLU129A, GLU41F, GLU45F, GLU85A, GLY-2F, GLY105F, GLY18A, GLY53F, GLY79A, HIS0F, HIS119A, HIS119F, HIS122A, HIS9F, ILE48F, ILE4F, ILE52F, LEU114A, LEU118A, LEU132A, LEU33F, LEU43F, LEU54F, LEU59F, LEU87A, LYS89A, PHE16A, PHE21A, PHE2F, PHE38F, PHE77A, PHE86A, SER-1F, SER121A, SER127A, SER3F, SER83A, THR115A, THR117A, THR117F, THR37F, THR56F, THR5F, THR82A, THR84A, TRP125A, TYR128A, VAL116A, VAL123A, VAL20A, VAL34F, VAL49F, VAL50F, VAL6F, VAL80A, VAL90A
• B-C: ARG7B, ARG7C, HIS9B, HIS9C, ILE52B, ILE52C, THR56B, THR56C, TYR68B, TYR68C
• B-D: HIS122B, HIS122D, TRP125B, TRP125D, VAL123B, VAL123D
• B-E: ALA124B, ALA124E, ALA13B, ALA13E, ALA24B, ALA24E, ALA30B, ALA30E, ALA65B, ALA65E, ARG26B, ARG26E, ARG69B, ARG69E, ARG7B, ARG7E, ASN67B, ASN67E, ASN70B, ASN70E, ASN73B, ASN73E, ASP35B, ASP35E, ASP72B, ASP72E, ASP8B, ASP8E, GLN25B, GLN25E, GLU120B, GLU120E, GLU74B, GLU74E, GLY22B, GLY22E, GLY29B, GLY29E, GLY64B, GLY64E, HIS119B, HIS119E, HIS122B, HIS122E, HIS14B, HIS14E, HIS28B, HIS28E, HIS9B, HIS9E, ILE10B, ILE10E, ILE12B, ILE12E, LEU27B, LEU27E, LEU33B, LEU33E, LEU66B, LEU66E, LEU71B, LEU71E, PHE16B, PHE16E, PHE21B, PHE21E, PHE32B, PHE32E, PRO23B, PRO23E, SER121B, SER121E, SER15B, SER15E, THR31B, THR31E, TYR68B, TYR68E, VAL123B, VAL123E, VAL34B, VAL34E
• B-F: ALA124F, ALA126F, ALA131F, ALA24F, ALA36B, ALA88F, ALA92F, ARG130F, ARG17F, ARG39B, ARG39F, ARG40B, ARG7B, ASN47B, ASN81F, ASP19F, ASP35B, ASP44B, ASP46B, ASP51B, ASP8B, ASP93F, GLN42B, GLU120F, GLU129F, GLU41B, GLU45B, GLU85F, GLY105B, GLY18F, GLY22F, GLY53B, GLY79F, HIS0B, HIS119B, HIS119F, HIS122F, HIS9B, ILE48B, ILE4B, ILE52B, LEU104B, LEU114F, LEU118F, LEU132F, LEU33B, LEU43B, LEU54B, LEU59B, LEU87F, LYS89F, PHE16F, PHE21F, PHE2B, PHE38B, PHE77F, PHE86F, PRO23F, SER-1B, SER121F, SER127F, SER3B, SER83F, THR115F, THR117B, THR117F, THR37B, THR56B, THR5B, THR82F, THR84F, TRP125F, TYR128F, VAL116F, VAL123F, VAL20F, VAL34B, VAL49B, VAL50B, VAL6B, VAL80F, VAL90F
• C-D: ALA124C, ALA126C, ALA131C, ALA24C, ALA36D, ALA88C, ALA92C, ARG130C, ARG17C, ARG39D, ARG40D, ARG7D, ASN47D, ASN81C, ASP19C, ASP35D, ASP44D, ASP46D, ASP51D, ASP8D, ASP93C, GLN42D, GLU120C, GLU129C, GLU41D, GLU45D, GLU85C, GLY105D, GLY18C, GLY53D, GLY79C, HIS0D, HIS119C, HIS119D, HIS122C, HIS9D, ILE48D, ILE4D, ILE52D, LEU114C, LEU118C, LEU132C, LEU33D, LEU43D, LEU54D, LEU59D, LEU87C, LYS89C, PHE16C, PHE21C, PHE2D, PHE32C, PHE38D, PHE77C, PHE86C, SER-1D, SER121C, SER127C, SER3D, SER83C, THR115C, THR117C, THR117D, THR37D, THR56D, THR5D, THR82C, THR84C, TRP125C, TYR128C, VAL116C, VAL123C, VAL20C, VAL34D, VAL49D, VAL50D, VAL6D, VAL80C, VAL90C
• C-E: ALA124E, ALA126E, ALA131E, ALA24E, ALA36C, ALA88E, ALA92E, ARG130E, ARG17E, ARG39C, ARG39E, ARG40C, ARG7C, ASN47C, ASN81E, ASP19E, ASP35C, ASP44C, ASP46C, ASP51C, ASP8C, ASP93E, GLN42C, GLU120E, GLU129E, GLU41C, GLU45C, GLU85E, GLY-2C, GLY105C, GLY113E, GLY18E, GLY22E, GLY53C, GLY79E, HIS0C, HIS119C, HIS119E, HIS122E, HIS9C, ILE48C, ILE4C, ILE52C, LEU114E, LEU118E, LEU132E, LEU33C, LEU43C, LEU54C, LEU59C, LEU87E, LYS89E, PHE16E, PHE21E, PHE2C, PHE38C, PHE77E, PHE86E, PRO23E, SER-1C, SER121E, SER127E, SER3C, SER83E, THR115E, THR117C, THR117E, THR37C, THR56C, THR5C, THR82E, THR84E, TRP125E, TYR128E, VAL116E, VAL123E, VAL20E, VAL34C, VAL49C, VAL50C, VAL6C, VAL80E, VAL90E
• C-F: ALA124C, ALA124F, ALA13C, ALA13F, ALA24C, ALA24F, ALA30C, ALA30F, ALA65C, ALA65F, ARG26C, ARG26F, ARG69C, ARG69F, ARG7C, ARG7F, ASN67C, ASN67F, ASN70C, ASN70F, ASN73C, ASN73F, ASP35F, ASP72C, ASP72F, ASP8C, ASP8F, GLN25C, GLN25F, GLU120C, GLU120F, GLU74F, GLY22C, GLY22F, GLY29C, GLY29F, GLY64C, GLY64F, HIS119C, HIS119F, HIS122C, HIS122F, HIS14C, HIS14F, HIS28C, HIS28F, HIS9C, HIS9F, ILE10C, ILE10F, ILE12C, ILE12F, LEU27C, LEU27F, LEU33C, LEU33F, LEU66C, LEU66F, LEU71C, LEU71F, PHE16C, PHE16F, PHE21C, PHE21F, PHE32C, PHE32F, PRO23C, PRO23F, SER121C, SER121F, SER15C, SER15F, THR31C, THR31F, TYR68C, TYR68F, VAL123C, VAL123F, VAL34C, VAL34F
• D-E: ALA124D, ALA126D, ALA131D, ALA24D, ALA36E, ALA55E, ALA88D, ALA92D, ARG130D, ARG17D, ARG39E, ARG40E, ARG7E, ASN47E, ASN81D, ASP19D, ASP35E, ASP44E, ASP46E, ASP51E, ASP8E, ASP93D, GLN42E, GLU120D, GLU129D, GLU41E, GLU45E, GLU85D, GLY105E, GLY18D, GLY22D, GLY53E, GLY79D, HIS0E, HIS119D, HIS119E, HIS122D, HIS9E, ILE48E, ILE4E, ILE52E, LEU104E, LEU114D, LEU118D, LEU132D, LEU33E, LEU43E, LEU54E, LEU59E, LEU87D, LYS89D, PHE16D, PHE21D, PHE2E, PHE38E, PHE77D, PHE86D, PRO23D, SER-1E, SER121D, SER127D, SER3E, SER83D, THR115D, THR117D, THR117E, THR37E, THR56E, THR5E, THR82D, THR84D, TRP125D, TYR128D, VAL116D, VAL123D, VAL20D, VAL34E, VAL49E, VAL50E, VAL6E, VAL80D, VAL90D
• D-F: ARG7D, ARG7F, HIS9D, HIS9F, ILE52D, ILE52F, THR56D, THR56F, TYR68D, TYR68F
• E-F: HIS122E, HIS122F, TRP125E, TRP125F, VAL123E, VAL123F