3OVK

crystal structure of an xxa-pro aminopeptidase from streptococcus pyogenes

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 38
  • Norm. En. per Res.: -4.631
• Hub Node: A(3)

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	-36.2447	-4.5817	-162.099	-202.9254	65	8	3	6077	0	13	16
A-C	-44.8348	0.0	-131.145	-175.9798	38	4	7	4450	0	0	0
A-D	-8.5107	0.0	-19.129	-27.6397	25	1	0	893	0	1	2
B-C	0.0	-31.893	-18.2125	-50.1055	27	0	0	918	3	12	10
C-D	-19.8489	-1.3991	-106.186	-127.4341	62	5	3	4912	1	15	22

Interface residues

• A-B: ALA108A, ALA120B, ALA17B, ALA23B, ALA42A, ALA43A, ARG129A, ARG129B, ARG14B, ARG59A, ARG77A, ASN31A, ASP57A, ASP93B, ASP99B, CYS94B, GLN100A, GLN121B, GLN15B, GLU126B, GLU18B, GLU22B, GLU98A, GLY123B, GLY20B, GLY37A, GLY40A, GLY96B, HIS127B, HIS28A, ILE55A, LEU118B, LEU119B, LEU128B, LEU21B, LEU24B, LEU29A, LEU63A, LEU80A, LEU95B, LYS19B, PHE105A, PHE124B, PHE38A, PHE97B, PRO79A, SER102A, SER104A, SER122B, SER32A, SER39A, SER58A, THR117B, THR27A, THR30A, THR41A, THR44A, THR56A, TYR106A, TYR106B, TYR33A, TYR34A, TYR60A, VAL101A, VAL125B
• A-C: ALA120A, ALA120C, ASP99A, ASP99C, GLN100A, GLN100C, GLN107A, GLN107C, GLN110A, GLN110C, GLN121A, GLN121C, GLU98A, GLU98C, GLY123A, GLY123C, HIS28A, HIS28C, LEU118A, LEU118C, LEU119A, LEU119C, PHE103A, PHE103C, PHE105A, PHE105C, PHE97A, PHE97C, SER102A, SER102C, SER104A, SER104C, SER122A, SER122C, TYR106A, TYR106C, VAL101A, VAL101C
• A-D: ALA108A, ALA111A, ALA17D, ALA49D, ALA89D, ARG51D, ASP90D, GLN107A, GLN110A, GLN91D, GLU88D, GLY115A, ILE116A, ILE92D, LEU113A, LEU118A, LEU86D, LEU87D, LYS50D, PHE103A, PHE105A, SER104A, SER114A, THR117A, TYR106A
• B-C: ALA17B, ALA49B, ARG129C, ARG14B, ARG52B, ASP99C, GLN100C, GLN15B, GLN7B, GLU126C, GLU18B, GLU6B, GLY10B, GLY123C, GLY3B, HIS11B, HIS127C, HIS28C, LEU13B, LEU29C, LEU9B, LYS50B, SER122C, SER2B, THR30C, THR41C, TYR34C
• C-D: ALA120C, ALA17C, ALA23C, ALA84D, ALA89D, ARG51D, ARG52D, ASP72D, ASP90D, ASP93C, ASP99C, CYS94C, GLN110C, GLN121C, GLN91C, GLN91D, GLU112D, GLU18C, GLU22C, GLU75D, GLU85D, GLU88C, GLU88D, GLY115C, GLY20C, GLY96C, ILE116C, ILE55D, ILE73D, ILE74D, ILE92C, LEU118C, LEU119C, LEU21C, LEU46D, LEU54D, LEU62D, LEU80D, LEU86D, LEU87C, LEU87D, LEU95C, LYS19C, LYS50D, LYS65D, LYS81D, PHE124C, PHE71D, PHE97C, SER114C, SER114D, SER122C, SER58D, SER76D, THR117C, THR56D, THR61D, THR78D, TYR106C, VAL53D, VAL82D, VAL83D