2DTT

crystal structure of 6-pyruvoyl tetrahydrobiopterin synthase from pyrococcus horikoshii ot3 complexed with (1'r,2's)-biopterin

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 66
  • Norm. En. per Res.: -7.3667
• 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	-120.5456	-108.0122	-233.033	-461.5908	72	11	1	8266	8	30	33
A-C	-130.6374	-110.7263	-244.839	-486.2027	66	17	1	8309	8	31	28
A-D	0.0	-13.6603	-61.9924	-75.6527	40	5	0	2660	1	22	17
A-F	-17.5702	-11.9802	-57.613	-87.1633	33	2	0	2476	1	8	10
B-C	-117.8161	-114.2627	-236.127	-468.2058	67	10	1	8146	8	31	31
D-E	-126.3771	-101.6068	-228.511	-456.4949	71	16	1	8426	5	30	35
D-F	-113.0458	-101.0615	-229.314	-443.4213	66	14	1	8310	7	29	29
E-F	-124.5284	-107.0749	-229.73	-461.3332	71	13	1	8105	6	30	30

Interface residues

• A-B: ALA36A, ALA81B, ARG100A, ARG100B, ARG4A, ARG53A, ARG89B, ARG8A, ARG8B, ASN109B, ASN43A, ASN74B, ASN79B, ASP108B, ASP48A, GLU105B, GLU112B, GLU114A, GLU114B, GLU34A, GLU34B, GLU38A, GLU40A, GLU57A, GLU73B, GLU78B, GLY106B, GLY110B, GLY20B, GLY39A, GLY44A, GLY85B, HIS15B, ILE37A, ILE41A, ILE5A, ILE6A, ILE80B, LEU103B, LEU113B, LEU50A, LEU52A, LEU82B, LEU98B, LYS107B, LYS18B, LYS2A, LYS42A, LYS97B, LYS99A, LYS99B, MET1A, MET47A, PHE31B, PHE32B, PHE49A, PRO75B, SER3A, THR76B, THR77B, THR9A, TRP104B, TRP115B, TYR45A, VAL101B, VAL102B, VAL111B, VAL17B, VAL19B, VAL35A, VAL46A, VAL7A
• A-C: ALA16A, ALA36C, ALA81A, ARG100A, ARG100C, ARG4C, ARG53C, ARG89A, ARG8A, ARG8C, ASN109A, ASN43C, ASN74A, ASN79A, ASP108A, ASP48C, GLU105A, GLU112A, GLU114A, GLU114C, GLU34A, GLU34C, GLU38C, GLU40C, GLU78A, GLY110A, GLY39C, GLY44C, GLY85A, HIS15A, ILE37C, ILE41C, ILE5C, ILE6C, ILE80A, LEU103A, LEU113A, LEU50C, LEU52C, LEU82A, LEU98A, LYS107A, LYS2C, LYS42C, LYS99A, LYS99C, MET1C, MET47C, PHE31A, PHE49C, PRO75A, SER10C, SER3C, THR76A, THR77A, THR9C, TRP104A, TRP115A, TRP83A, TYR45C, VAL101A, VAL102A, VAL111A, VAL35C, VAL46C, VAL7C
• A-D: ALA81D, ARG66A, ARG87A, ARG87D, ARG89D, ASN67A, ASN69A, ASN70A, ASN70D, ASN74D, ASN79D, ASP64A, ASP90D, GLU114D, GLU57A, GLU58A, GLU62A, GLU73A, GLU73D, GLU86D, GLY85D, HIS65A, ILE71A, ILE71D, ILE84D, ILE88D, LEU113D, LEU63A, LEU68A, LEU82D, LEU98D, LYS61A, LYS91A, LYS97D, PHE72A, PHE72D, TRP115D, TRP83A, TRP83D, VAL101D
• A-F: ARG87A, ARG89A, ASN43F, ASN69A, ASN70A, ASN74A, ASP90A, GLU40F, GLU58A, GLU62A, GLU73A, GLU86A, GLY39F, GLY44F, GLY85A, ILE41F, ILE55A, ILE59A, ILE71A, ILE84A, ILE88A, LEU68A, LEU82A, LYS2F, LYS42F, LYS91A, MET1F, PHE72A, SER3F, TRP83A, TYR45F, TYR95F, VAL46F
• B-C: ALA36B, ALA81C, ARG100B, ARG100C, ARG4B, ARG53B, ARG89C, ARG8B, ARG8C, ASN109C, ASN43B, ASN74C, ASN79C, ASP108C, ASP48B, GLU105C, GLU112C, GLU114B, GLU114C, GLU34B, GLU34C, GLU38B, GLU40B, GLU57B, GLU78C, GLY106C, GLY110C, GLY39B, GLY44B, GLY85C, HIS15C, ILE37B, ILE41B, ILE5B, ILE6B, ILE80C, LEU103C, LEU113C, LEU50B, LEU52B, LEU82C, LEU98C, LYS107C, LYS2B, LYS42B, LYS99B, LYS99C, MET1B, MET47B, PHE31C, PHE32C, PHE49B, PRO75C, SER10B, SER3B, THR76C, THR77C, THR9B, TRP104C, TRP115C, TYR45B, VAL101C, VAL102C, VAL111C, VAL35B, VAL46B, VAL7B
• D-E: ALA36D, ALA81E, ARG100D, ARG100E, ARG4D, ARG53D, ARG89E, ARG8D, ARG8E, ASN109E, ASN43D, ASN74E, ASN79E, ASP108E, ASP48D, GLU105E, GLU112E, GLU114D, GLU114E, GLU34D, GLU34E, GLU38D, GLU40D, GLU78E, GLU86E, GLY106E, GLY110E, GLY20E, GLY39D, GLY44D, GLY85E, HIS15E, HIS27E, ILE37D, ILE41D, ILE5D, ILE6D, ILE80E, LEU103E, LEU113E, LEU50D, LEU52D, LEU82E, LEU98E, LYS107E, LYS18E, LYS2D, LYS42D, LYS99D, LYS99E, MET1D, MET47D, PHE31E, PHE32E, PHE49D, PRO75E, SER3D, THR76E, THR77E, THR9D, TRP104E, TRP115E, TYR45D, VAL101E, VAL102E, VAL111E, VAL17E, VAL19E, VAL35D, VAL46D, VAL7D
• D-F: ALA36F, ALA81D, ARG100D, ARG100F, ARG4F, ARG53F, ARG89D, ARG8D, ARG8F, ASN109D, ASN43F, ASN74D, ASN79D, ASP108D, ASP48F, GLU105D, GLU112D, GLU114D, GLU114F, GLU34D, GLU34F, GLU38F, GLU40F, GLU57F, GLU78D, GLY110D, GLY39F, GLY44F, GLY85D, HIS15D, ILE37F, ILE41F, ILE5F, ILE6F, ILE80D, LEU103D, LEU113D, LEU50F, LEU52F, LEU82D, LYS107D, LYS2F, LYS42F, LYS97D, LYS99D, LYS99F, MET1F, MET47F, PHE31D, PHE32D, PHE49F, PRO75D, SER10F, SER3F, THR76D, THR77D, THR9F, TRP104D, TRP115D, TYR45F, VAL101D, VAL102D, VAL111D, VAL35F, VAL46F, VAL7F
• E-F: ALA36E, ALA81F, ARG100E, ARG100F, ARG4E, ARG53E, ARG89F, ARG8E, ARG8F, ASN109F, ASN43E, ASN74F, ASN79F, ASP108F, ASP48E, GLU105F, GLU112F, GLU114E, GLU114F, GLU34E, GLU34F, GLU38E, GLU40E, GLU57E, GLU78F, GLU86F, GLY106F, GLY110F, GLY39E, GLY44E, GLY85F, HIS15F, HIS29F, ILE37E, ILE41E, ILE5E, ILE6E, ILE80F, LEU103F, LEU113F, LEU50E, LEU52E, LEU82F, LEU98F, LYS107E, LYS107F, LYS2E, LYS42E, LYS99E, LYS99F, MET1E, MET47E, PHE31F, PHE32E, PHE32F, PHE49E, PRO75F, SER10E, SER3E, THR76F, THR77F, THR9E, TRP104F, TRP115F, TYR45E, VAL101F, VAL102F, VAL111F, VAL35E, VAL46E, VAL7E