3PNT

crystal structure of the streptococcus pyogenes nad+ glycohydrolase spn in complex with ifs, the immunity factor for spn

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 139
  • Norm. En. per Res.: -3.2201
• 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	-26.3206	-76.1521	-345.126	-447.5987	139	16	0	12636	11	99	84
A-D	0.0	-11.1228	-20.4501	-31.5729	16	0	2	693	2	14	12
B-C	0.0	-5.8423	-14.6376	-20.4799	24	0	0	909	0	4	8
B-D	0.0	-13.9027	-30.7954	-44.6981	31	1	0	1447	2	10	6
C-D	-19.6156	-44.0306	-321.531	-385.1772	140	14	0	12461	10	98	84

Interface residues

• A-B: ALA144B, ALA283A, ALA287A, ALA369A, ALA426A, ALA98B, ARG156B, ARG289A, ARG295A, ARG36B, ARG39B, ARG40B, ASN100B, ASN104B, ASN298A, ASN370A, ASN373A, ASN428A, ASN97B, ASP148B, ASP152B, ASP209A, ASP214A, ASP279A, ASP285A, ASP286A, ASP32B, ASP332A, ASP338A, ASP365A, ASP41B, ASP430A, ASP46B, ASP49B, GLN147B, GLN216A, GLN296A, GLN91B, GLN94B, GLU142B, GLU155B, GLU159B, GLU206A, GLU297A, GLU326A, GLU34B, GLU51B, GLU55B, GLU9B, GLY141B, GLY294A, GLY299A, GLY330A, GLY334A, GLY368A, GLY382A, GLY429A, GLY45B, GLY7B, HIS10B, HIS145B, HIS273A, ILE158B, ILE207A, ILE293A, ILE374A, ILE37B, ILE425A, ILE47B, LEU102B, LEU103B, LEU280A, LEU282A, LEU372A, LEU408A, LEU8B, LYS139B, LYS203A, LYS205A, LYS208A, LYS210A, LYS215A, LYS277A, LYS278A, LYS288A, LYS290A, LYS329A, LYS335A, LYS33B, LYS405A, LYS6B, PHE143B, PHE204A, PHE220A, PHE284A, PHE301A, PRO367A, PRO427A, PRO50B, PRO5B, SER276A, SER291A, SER333A, SER337A, SER371A, SER381A, SER396A, SER404A, SER42B, SER48B, THR149B, THR157B, THR160B, THR213A, THR275A, THR292A, THR366A, THR379A, THR38B, TRP211A, TRP380A, TYR105B, TYR106B, TYR11B, TYR146B, TYR27B, TYR2B, TYR336A, TYR341A, TYR35B, TYR43B, TYR56B, TYR90B, VAL154B, VAL212A, VAL274A, VAL331A, VAL52B, VAL93B
• A-D: ALA129D, ALA134D, ALA406A, ALA409A, ARG132D, ASP128D, ASP412A, GLU133D, GLU410A, HIS130D, ILE131D, LEU408A, LYS127D, LYS403A, LYS405A, VAL407A
• B-C: ALA71B, ASN114B, ASN428C, ASP430C, GLN68B, GLU74B, GLY429C, GLY65B, HIS431C, ILE63B, LEU109B, LYS290C, LYS400C, LYS432C, LYS433C, LYS70B, PHE111B, PHE62B, PRO110B, SER108B, THR423C, THR67B, TYR112B, TYR66B
• B-D: ALA129D, ALA136D, ARG132D, ARG156D, ASN100B, ASN104B, ASN114B, ASP148D, ASP152D, GLN147D, GLU107B, GLU133D, GLU155D, GLU159D, HIS137D, LEU103B, LEU109B, LEU113B, LEU126D, LEU151D, LYS3B, LYS70B, PHE111B, PRO110B, SER108B, THR149D, TYR105B, TYR106B, TYR112B, TYR146D, TYR2B
• C-D: ALA144D, ALA283C, ALA287C, ALA369C, ALA426C, ALA98D, ARG156D, ARG289C, ARG295C, ARG360C, ARG36D, ARG39D, ARG40D, ASN100D, ASN104D, ASN298C, ASN370C, ASN373C, ASN428C, ASN97D, ASP148D, ASP152D, ASP209C, ASP214C, ASP279C, ASP285C, ASP286C, ASP323C, ASP32D, ASP332C, ASP338C, ASP365C, ASP41D, ASP430C, ASP46D, ASP49D, GLN147D, GLN216C, GLN296C, GLN91D, GLN94D, GLU142D, GLU155D, GLU159D, GLU206C, GLU297C, GLU326C, GLU34D, GLU391C, GLU51D, GLU55D, GLU9D, GLY141D, GLY294C, GLY299C, GLY30D, GLY330C, GLY334C, GLY368C, GLY382C, GLY429C, GLY45D, GLY7D, HIS10D, HIS145D, HIS273C, ILE158D, ILE207C, ILE293C, ILE374C, ILE37D, ILE47D, LEU102D, LEU103D, LEU280C, LEU282C, LEU372C, LEU408C, LEU8D, LYS139D, LYS205C, LYS208C, LYS210C, LYS277C, LYS278C, LYS288C, LYS290C, LYS329C, LYS335C, LYS33D, LYS405C, LYS6D, PHE143D, PHE15D, PHE161D, PHE204C, PHE220C, PRO367C, PRO427C, PRO50D, PRO5D, SER276C, SER291C, SER333C, SER337C, SER363C, SER371C, SER381C, SER396C, SER404C, SER42D, SER48D, THR149D, THR157D, THR160D, THR213C, THR275C, THR292C, THR366C, THR379C, THR38D, TRP211C, TRP380C, TYR105D, TYR106D, TYR11D, TYR146D, TYR27D, TYR2D, TYR336C, TYR341C, TYR35D, TYR43D, TYR56D, TYR90D, VAL154D, VAL212C, VAL331C, VAL52D, VAL93D