2DJ6

crystal structure of 6-pyruvoyl tetrahydrobiopterin synthase from pyrococcus horikoshii ot3

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 70
  • Norm. En. per Res.: -7.1382
• Hub Node: A(2)

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	-110.3601	-111.1842	-243.745	-465.2892	73	17	1	8647	7	30	32
A-C	-138.1557	-120.4927	-241.028	-499.6765	70	18	1	8329	10	32	28
B-C	-115.0039	-105.2593	-235.266	-455.5292	71	14	1	8039	6	29	30

Interface residues

• A-B: ALA36A, ALA81B, ARG100A, ARG100B, ARG4A, ARG53A, ARG89B, ARG8A, ARG8B, ASN109B, ASN43A, ASN74B, ASN79B, ASP108B, ASP48A, GLU105B, GLU112B, GLU114A, GLU114B, GLU24B, GLU34A, GLU34B, GLU38A, GLU40A, 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, TRP23B, TYR45A, VAL101B, VAL102B, VAL111B, VAL17B, VAL19B, VAL35A, VAL46A, VAL7A
• A-C: ALA36C, ALA81A, ARG100A, ARG100C, ARG4C, ARG53C, ARG89A, ARG8A, ARG8C, ASN109A, ASN43C, ASN74A, ASN79A, ASP108A, ASP48C, GLU105A, GLU112A, GLU114A, GLU114C, GLU34A, GLU34C, GLU38C, GLU40C, GLU57C, GLU78A, GLU86A, GLY106A, GLY110A, GLY39C, GLY44C, GLY85A, HIS15A, ILE37C, ILE41C, ILE5C, ILE6C, ILE80A, LEU103A, LEU113A, LEU33C, LEU50C, LEU52C, LEU82A, LEU98A, LYS107A, LYS2C, LYS42C, LYS99A, LYS99C, MET1C, MET47C, PHE31A, PHE32A, PHE32C, PHE49C, PRO75A, SER10C, SER3C, THR76A, THR77A, THR9C, TRP104A, TRP115A, TYR45C, VAL101A, VAL102A, VAL111A, VAL35C, VAL46C, VAL7C
• 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, GLU86C, GLY106C, GLY110C, GLY39B, GLY44B, GLY85C, HIS15C, ILE37B, ILE41B, ILE5B, ILE6B, ILE80C, LEU103C, LEU113C, LEU33B, LEU50B, LEU52B, LEU82C, LEU98C, LYS107B, LYS107C, LYS2B, LYS42B, LYS99B, LYS99C, MET1B, MET47B, PHE31C, PHE32B, PHE32C, PHE49B, PRO75C, SER10B, SER3B, THR76C, THR77C, THR9B, TRP104C, TRP115C, TYR45B, VAL101C, VAL102C, VAL111C, VAL35B, VAL46B, VAL7B