3IF9

crystal structure of glycine oxidase g51s/a54r/h244a mutant in complex with inhibitor glycolate

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 88
  • Norm. En. per Res.: -4.3246
• 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	0.0	-10.6001	-96.5119	-107.112	78	2	0	4831	0	19	24
A-C	0.0	-1.0292	-4.3971	-5.4263	16	1	0	431	1	12	10
B-C	-30.1192	31.7918	-131.097	-129.4244	51	10	0	4643	0	28	36
C-D	-67.007	-30.8024	-282.754	-380.5635	88	15	11	11187	3	26	31

Interface residues

• A-B: ALA218A, ALA218B, ARG41A, ARG41B, ASN216B, ASP192A, ASP192B, ASP265A, ASP265B, GLN212A, GLN212B, GLU170A, GLU170B, GLU268A, GLU268B, GLY191A, GLY191B, GLY207A, GLY207B, GLY264A, GLY264B, GLY36A, GLY36B, HIS171A, HIS171B, HIS176A, HIS176B, LEU175A, LEU175B, LEU220A, LEU220B, LEU301A, LEU301B, LYS187A, LYS187B, LYS211A, LYS211B, LYS223A, LYS223B, MET1A, MET208A, MET208B, PHE169A, PHE185A, PHE209A, PHE209B, PHE219A, PHE219B, PRO173A, PRO173B, PRO189A, PRO189B, PRO221A, PRO221B, SER190A, SER190B, SER206A, SER206B, SER267A, SER267B, SER35A, SER35B, THR172A, THR172B, THR188A, THR188B, THR269A, THR269B, THR37A, THR37B, TRP205A, TRP205B, TRP266A, TRP266B, VAL174A, VAL174B, VAL204A, VAL204B
• A-C: ASN196C, ASN216A, ASN27C, ASN29C, ASN348C, GLU182C, GLU26C, GLU6C, HIS197C, HIS4C, LYS211A, LYS28C, LYS306A, LYS349C, LYS364A, MET347C
• B-C: ALA183B, ALA183C, ALA195B, ALA195C, ARG179B, ARG179C, ARG320B, ARG3B, ARG3C, ASP180B, ASP180C, ASP192B, ASP192C, GLU178B, GLU178C, GLU182B, GLU182C, GLY181B, GLY181C, GLY191B, GLY191C, HIS176B, HIS176C, HIS4B, HIS4C, ILE186B, ILE186C, LEU184B, LEU184C, LYS187B, LYS187C, LYS2B, LYS2C, MET1B, MET1C, PHE169B, PHE169C, PHE185B, PHE185C, PHE33B, PHE33C, SER190B, SER190C, THR188B, THR188C, TRP194B, TRP194C, TYR5B, TYR5C, VAL193B, VAL193C
• C-D: ALA282C, ALA282D, ALA288C, ALA288D, ALA299C, ALA299D, ARG296C, ARG296D, ASN291C, ASN291D, ASP265C, ASP265D, ASP271C, ASP271D, ASP295C, ASP295D, GLN290C, GLN290D, GLU225C, GLU225D, GLU268C, GLU268D, GLU276C, GLU276D, GLY273C, GLY273D, GLY274C, GLY274D, ILE247C, ILE247D, ILE289C, ILE289D, LEU227C, LEU227D, LEU255C, LEU255D, LEU272C, LEU272D, LEU275C, LEU275D, LEU286C, LEU286D, LYS223C, LYS223D, LYS262C, LYS262D, LYS280C, LYS280D, LYS281C, LYS281D, LYS283C, LYS283D, LYS293C, LYS293D, MET279C, MET279D, MET292C, MET292D, PHE297C, PHE297D, PRO270C, PRO270D, PRO287C, PRO287D, SER228C, SER228D, SER267C, SER267D, SER277C, SER277D, THR269C, THR269D, THR284C, THR284D, TRP230C, TRP230D, TRP266C, TRP266D, TRP298C, TRP298D, VAL229C, VAL229D, VAL257C, VAL257D, VAL278C, VAL278D, VAL294C, VAL294D