1M8P

crystal structure of p. chrysogenum atp sulfurylase in the t-state

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 63
  • Norm. En. per Res.: -2.3584
• 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	-4.0672	-57.38	-123.067	-184.5143	80	7	0	5632	3	27	23
A-C	-5.6527	-40.807	-94.7786	-141.2383	67	4	0	4438	1	22	16
B-C	-8.6734	-39.8345	-100.074	-148.5819	63	6	0	4585	2	25	15

Interface residues

• A-B: ALA214B, ALA219B, ALA256B, ALA370A, ARG192B, ARG207B, ARG212B, ARG215B, ARG217B, ARG343B, ARG364A, ARG365A, ARG554A, ARG572A, ASN220B, ASN253B, ASP186B, ASP338B, ASP340B, ASP543A, GLN218B, GLN422A, GLN423A, GLN551A, GLN567A, GLN573A, GLU341B, GLU361A, GLU559A, GLU565A, GLU571A, GLY189B, GLY254B, GLY369A, GLY568A, HIS371A, HIS558A, ILE357A, ILE372A, ILE556A, ILE560A, ILE561A, LEU188B, LEU336B, LEU355A, LEU544A, LEU562A, LEU564A, LEU570A, LYS187B, LYS353A, LYS353B, MET1B, MET255B, PHE185B, PHE569A, PRO252B, PRO337B, PRO349B, PRO373A, SER191B, SER216B, SER368A, SER552A, SER555A, SER566A, THR339B, TRP190B, TRP375A, TYR251B, TYR335B, VAL183B, VAL193B, VAL211B, VAL221B, VAL352B, VAL546A, VAL553A, VAL557A, VAL563A
• A-C: ALA214A, ALA219A, ALA256A, ALA370C, ARG192A, ARG207A, ARG215A, ARG217A, ARG343A, ARG364C, ARG365C, ARG554C, ARG572C, ASN220A, ASN253A, ASP186A, ASP338A, ASP340A, ASP543C, GLN218A, GLN422C, GLN423C, GLN551C, GLN567C, GLN573C, GLU341A, GLU559C, GLU565C, GLU571C, GLY189A, GLY254A, GLY568C, HIS371C, HIS558C, ILE556C, ILE560C, ILE561C, LEU188A, LEU544C, LEU562C, LEU564C, LEU570C, LYS187A, LYS353A, LYS353C, MET1A, MET255A, PHE185A, PHE569C, PRO252A, PRO373C, SER191A, SER216A, SER368C, SER552C, SER555C, SER566C, THR339A, TRP190A, TYR251A, VAL183A, VAL193A, VAL211A, VAL221A, VAL553C, VAL557C, VAL563C
• B-C: ALA214C, ALA219C, ALA256C, ALA370B, ARG192C, ARG207C, ARG215C, ARG217C, ARG343C, ARG364B, ARG365B, ARG554B, ARG572B, ASN220C, ASN253C, ASP186C, ASP338C, ASP340C, ASP543B, GLN218C, GLN423B, GLN551B, GLN567B, GLN573B, GLU341C, GLU361B, GLU559B, GLU565B, GLU571B, GLY189C, GLY254C, GLY568B, HIS371B, HIS558B, ILE556B, ILE560B, ILE561B, LEU188C, LEU544B, LEU562B, LEU564B, LEU570B, LYS187C, MET1C, MET255C, PHE185C, PHE569B, PRO252C, SER191C, SER216C, SER368B, SER552B, SER555B, SER566B, THR339C, TRP190C, VAL183C, VAL193C, VAL211C, VAL221C, VAL553B, VAL557B, VAL563B