3IV8

n-acetylglucosamine-6-phosphate deacetylase from vibrio cholerae complexed with fructose 6-phosphate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 86
  • Norm. En. per Res.: -3.9258
• 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	-12.346	-58.608	-46.2285	-117.1825	57	7	3	2518	4	36	28
A-C	-55.3978	-48.6793	-246.122	-350.199	91	9	5	10058	4	19	30
A-D	-36.5593	-40.2169	-77.5254	-154.3016	77	5	0	3358	9	46	59
B-C	-33.4173	-77.3791	-80.8255	-191.6219	79	5	0	3528	11	43	58
B-D	-57.027	-46.4392	-234.153	-337.6192	86	8	5	9807	4	20	29
C-D	-10.693	-56.6704	-48.2363	-115.5997	58	1	3	2374	4	36	28

Interface residues

• A-B: ALA252B, ALA324A, ALA324B, ARG255A, ARG255B, ARG330A, ARG330B, ARG362A, ARG362B, ASN13A, ASN13B, ASN365A, ASN365B, ASN50B, ASP14A, ASP14B, ASP326A, ASP326B, ASP361A, ASP361B, ASP363A, ASP363B, GLN315A, GLN315B, GLU319A, GLU319B, GLU327A, GLU327B, GLY322A, GLY322B, HIS258A, HIS320A, HIS320B, ILE323A, ILE323B, LEU16A, LEU16B, LEU325A, LEU325B, LYS259A, LYS259B, LYS8A, LYS8B, PHE364A, PHE364B, THR317A, THR317B, TYR10A, TYR10B, VAL15A, VAL15B, VAL17A, VAL17B, VAL318A, VAL318B, VAL321A, VAL321B
• A-C: ALA217A, ALA217C, ALA231A, ALA231C, ALA252A, ALA252C, ALA257A, ALA257C, ARG201A, ARG201C, ARG224A, ARG224C, ARG255A, ARG255C, ASN216A, ASN216C, ASN253A, ASN253C, ASP234A, ASP234C, ASP245A, ASP250A, ASP250C, GLU225A, GLU225C, GLY223A, GLY223C, GLY227A, GLY227C, GLY230A, GLY230C, GLY246A, GLY246C, GLY301A, HIS248A, HIS248C, ILE232A, ILE232C, ILE242A, ILE242C, ILE243C, ILE254A, ILE254C, ILE256A, ILE256C, ILE260A, ILE260C, LEU214A, LEU214C, LEU303A, LEU303C, LYS259A, LYS259C, LYS261A, LYS295A, LYS295C, MET218A, MET218C, MET221A, MET221C, PHE215A, PHE215C, PHE247A, PHE247C, PRO220A, PRO220C, PRO226A, PRO226C, PRO236A, PRO236C, SER198A, SER198C, THR219A, THR235A, THR235C, THR302A, THR302C, TYR197A, TYR197C, TYR233A, TYR233C, TYR251A, TYR251C, VAL222A, VAL222C, VAL229A, VAL229C, VAL249A, VAL249C, VAL321A, VAL321C
• A-D: ARG201A, ARG201D, ARG330A, ARG330D, ARG348A, ARG348D, ASN13A, ASN13D, ASP14A, ASP14D, ASP234A, ASP234D, ASP343A, ASP343D, GLU176A, GLU176D, GLU179A, GLU179D, GLU205A, GLU205D, GLU237A, GLU237D, GLU263A, GLU263D, GLU327A, GLU327D, GLY12A, GLY12D, GLY207A, GLY207D, ILE208A, ILE349A, ILE349D, LEU16A, LEU16D, LEU334A, LEU334D, LYS202A, LYS202D, LYS264A, LYS264D, LYS338A, LYS338D, LYS350A, LYS350D, LYS351A, LYS351D, MET353D, PHE204A, PHE204D, PRO175A, PRO175D, PRO236A, PRO236D, PRO33D, SER198A, SER198D, SER203A, SER203D, SER206A, SER206D, THR11A, THR11D, THR209A, THR235A, THR235D, TYR197A, TYR197D, TYR335A, TYR335D, VAL15A, VAL15D, VAL182A, VAL182D, VAL238D, VAL31A, VAL31D
• B-C: ARG201B, ARG201C, ARG330B, ARG330C, ARG348B, ARG348C, ASN13B, ASN13C, ASP14B, ASP14C, ASP234B, ASP234C, ASP343B, ASP343C, CYS32C, GLU176B, GLU179B, GLU179C, GLU205B, GLU205C, GLU237B, GLU237C, GLU263B, GLU263C, GLU327B, GLU327C, GLU344B, GLU344C, GLY12B, GLY12C, GLY207B, GLY207C, HIS19C, ILE208C, ILE349B, ILE349C, LEU16B, LEU16C, LEU334B, LEU334C, LYS183B, LYS183C, LYS202B, LYS202C, LYS264B, LYS264C, LYS338B, LYS338C, LYS350B, LYS350C, LYS351B, LYS351C, MET353C, PHE204B, PHE204C, PRO175B, PRO175C, PRO236B, PRO236C, PRO33C, SER198B, SER203C, SER206B, SER206C, THR11B, THR11C, THR235B, THR235C, TYR197B, TYR197C, TYR335B, TYR335C, VAL15B, VAL15C, VAL182B, VAL182C, VAL238B, VAL31B, VAL31C
• B-D: ALA217B, ALA217D, ALA231B, ALA231D, ALA252B, ALA252D, ALA257B, ALA257D, ARG201B, ARG201D, ARG224B, ARG224D, ARG255B, ARG255D, ASN216B, ASN216D, ASN253B, ASN253D, ASP234B, ASP234D, ASP245B, ASP250B, ASP250D, GLU225B, GLU225D, GLY223B, GLY223D, GLY227B, GLY227D, GLY230B, GLY230D, GLY246B, GLY246D, HIS248B, HIS248D, ILE232B, ILE232D, ILE242B, ILE242D, ILE254B, ILE254D, ILE256B, ILE256D, ILE260B, ILE260D, LEU214B, LEU214D, LEU303B, LEU303D, LYS136D, LYS259B, LYS259D, LYS261B, MET218B, MET218D, MET221B, MET221D, PHE215B, PHE215D, PHE247B, PHE247D, PRO220B, PRO220D, PRO226B, PRO226D, PRO236B, PRO236D, SER198B, SER198D, THR219B, THR235B, THR235D, THR302B, TYR197B, TYR197D, TYR233B, TYR233D, TYR251B, TYR251D, VAL222B, VAL222D, VAL229B, VAL229D, VAL249B, VAL249D, VAL321D
• C-D: ALA252C, ALA252D, ALA324C, ALA324D, ARG255C, ARG255D, ARG330C, ARG330D, ARG362C, ARG362D, ASN13C, ASN13D, ASN365C, ASN365D, ASP14C, ASP14D, ASP326C, ASP326D, ASP361C, ASP361D, ASP363C, ASP363D, GLN315C, GLN315D, GLU319C, GLU319D, GLU327C, GLU327D, GLY322C, GLY322D, HIS258C, HIS258D, HIS320C, HIS320D, ILE323C, ILE323D, LEU16C, LEU16D, LEU325C, LEU325D, LYS18C, LYS259C, LYS259D, LYS8C, LYS8D, PHE364C, PHE364D, THR317D, TYR10C, TYR10D, VAL15C, VAL15D, VAL17C, VAL17D, VAL318C, VAL318D, VAL321C, VAL321D