1XA8

crystal structure analysis of glutathione-dependent formaldehyde- activating enzyme (gfa)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 89
  • Norm. En. per Res.: -3.1749
• 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	0.0	0.0	-0.0097	-0.0097	2	0	0	6	0	2	5
A-C	0.0	0.0	-0.053	-0.053	5	0	0	14	0	2	2
A-D	-10.1763	-15.1662	-226.378	-251.7205	90	3	5	8978	8	22	14
B-C	-13.4787	-52.7292	-216.355	-282.5629	89	1	5	8747	8	22	14
B-D	0.0	0.0	-0.0835	-0.0835	6	0	0	25	0	2	2
C-D	0.0	0.0	-22.1278	-22.1278	30	0	0	939	0	0	1

Interface residues

• A-B: SER155A, SER155B
• A-C: ALA196C, ASP5A, LEU122C, LYS189C, MET3A
• A-D: ALA174A, ALA174D, ALA182A, ALA182D, ALA184A, ALA184D, ALA188A, ALA188D, ALA193A, ALA193D, ALA195A, ALA195D, ARG156A, ARG156D, ARG161A, ARG161D, ARG165A, ARG165D, ARG190A, ARG190D, ASP153A, ASP153D, ASP173A, ASP173D, ASP181A, ASP181D, GLU149A, GLU149D, GLU158A, GLU158D, GLU170A, GLU170D, GLY151A, GLY151D, GLY192A, GLY192D, HIS186A, HIS186D, ILE147A, ILE147D, ILE148A, ILE148D, ILE183A, ILE183D, ILE187A, ILE187D, LEU175A, LEU175D, LEU179A, LEU179D, LEU194A, LEU194D, LYS189A, LYS189D, MET157A, MET157D, MET180A, MET180D, PHE143A, PHE143D, PRO154A, PRO154D, PRO171A, PRO171D, PRO177A, PRO177D, PRO178A, PRO178D, SER145A, SER145D, SER146A, SER146D, SER150A, SER150D, SER155A, SER155D, SER176A, SER176D, SER191A, SER191D, THR185A, THR185D, THR57A, THR57D, TYR172A, TYR172D, VAL144A, VAL144D, VAL152A, VAL152D
• B-C: ALA174B, ALA174C, ALA182B, ALA182C, ALA184B, ALA184C, ALA188B, ALA188C, ALA193B, ALA193C, ALA195B, ALA195C, ARG156B, ARG156C, ARG161B, ARG161C, ARG165B, ARG165C, ARG190C, ASP153B, ASP153C, ASP173B, ASP173C, ASP181B, ASP181C, GLU149B, GLU149C, GLU158B, GLU158C, GLU170B, GLU170C, GLY151B, GLY151C, GLY192B, GLY192C, HIS186B, HIS186C, ILE147B, ILE147C, ILE148B, ILE148C, ILE183B, ILE183C, ILE187B, ILE187C, LEU175B, LEU175C, LEU179B, LEU179C, LEU194B, LEU194C, LYS189B, LYS189C, MET157B, MET157C, MET180B, MET180C, PHE143B, PHE143C, PRO154B, PRO154C, PRO171B, PRO171C, PRO177B, PRO177C, PRO178B, PRO178C, SER145B, SER145C, SER146B, SER146C, SER150B, SER150C, SER155B, SER155C, SER176B, SER176C, SER191B, SER191C, THR185B, THR185C, THR57B, THR57C, TYR172B, TYR172C, VAL144B, VAL144C, VAL152B, VAL152C
• B-D: ALA196D, ASP5B, LEU122D, LYS189D, MET3B, SER7B
• C-D: ALA22C, ALA22D, ARG163C, ARG163D, ARG165C, ARG165D, GLN23C, GLN23D, GLU166C, GLU166D, GLY168C, GLY168D, GLY18C, GLY18D, GLY25C, GLY25D, ILE19C, ILE19D, LEU164C, LEU164D, LEU167C, LEU167D, LEU169C, LEU169D, LYS20C, LYS20D, PRO21C, PRO21D, PRO24C, PRO24D