1NE7

human glucosamine-6-phosphate deaminase isomerase at 1.75 a resolution complexed with n-acetyl-glucosamine-6-phosphate and 2-deoxy-2-amino-glucitol-6-phosphate

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 51
  • Norm. En. per Res.: -6.7982
• Hub Node: A(4)

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	-73.073	-12.6509	-171.957	-257.6809	79	9	2	6882	1	20	24
A-C	-69.8601	-13.9662	-169.279	-253.1053	79	10	2	6784	2	20	24
A-D	-76.6945	-93.6082	-148.554	-318.8568	48	10	7	6101	8	32	31
A-E	0.0	-0.5337	-26.6012	-27.1349	36	0	2	1574	0	10	17
B-C	-79.3015	-5.2953	-163.387	-247.9838	78	7	2	6794	0	21	24
B-D	0.0	0.0	-22.4056	-22.4056	33	0	2	1395	0	10	16
B-F	-90.8656	-100.4774	-155.364	-346.707	51	12	7	6244	8	32	30
C-E	-70.2565	-81.1581	-140.722	-292.1365	44	8	7	5916	8	32	29
C-F	0.0	0.0	-23.593	-23.593	31	0	2	1306	0	9	16
D-E	-62.9346	-11.657	-171.202	-245.7936	78	7	2	6772	2	20	24
D-F	-72.6127	-2.9001	-165.597	-241.1098	77	7	2	6677	0	20	24
E-F	-76.8204	-13.4401	-171.61	-261.8705	80	7	2	6977	1	20	24

Interface residues

• A-B: ALA163B, ALA215A, ALA228A, ALA228B, ARG156B, ARG158B, ARG234A, ASN147B, ASN221A, ASN221B, ASP141B, ASP165B, GLN230A, GLN231A, GLN231B, GLU148B, GLU217A, GLU218A, GLU218B, GLY150B, GLY191B, GLY219A, GLY219B, GLY257A, HIS222B, HIS232A, HIS262A, ILE167B, ILE216A, LEU153B, LEU162B, LEU168B, LEU212A, LEU247A, LEU258A, LEU3A, LYS160B, LYS214A, LYS214B, LYS248A, LYS250A, LYS253A, LYS264A, LYS2A, MET164B, MET184B, MET194A, MET194B, MET1A, MET223B, PHE146B, PHE210B, PHE229A, PHE237A, PHE255A, PRO140B, PRO149B, PRO233A, SER151B, SER152B, SER155B, SER227A, SER227B, THR161B, THR166B, THR183B, THR225B, THR235A, THR251A, TRP224B, TYR213A, TYR254A, VAL154B, VAL159B, VAL190B, VAL220A, VAL220B, VAL252A, VAL261A
• A-C: ALA163A, ALA215C, ALA228A, ALA228C, ARG156A, ARG158A, ARG234C, ASN221A, ASN221C, ASP141A, ASP165A, GLN230C, GLN231A, GLN231C, GLU148A, GLU217C, GLU218A, GLU218C, GLY150A, GLY191A, GLY219A, GLY219C, GLY257C, HIS222A, HIS232C, HIS262C, ILE167A, ILE216C, LEU153A, LEU162A, LEU168A, LEU212C, LEU247C, LEU258C, LEU3C, LYS160A, LYS214A, LYS214C, LYS248C, LYS250C, LYS253C, LYS264C, LYS2C, MET164A, MET184A, MET194A, MET194C, MET1C, MET223A, PHE146A, PHE210A, PHE229C, PHE237C, PHE255C, PRO140A, PRO149A, PRO233C, SER151A, SER152A, SER155A, SER227A, SER227C, THR161A, THR166A, THR183A, THR225A, THR235C, THR251C, TRP224A, TYR213C, TYR254C, VAL154A, VAL159A, VAL190A, VAL220A, VAL220C, VAL249C, VAL252C, VAL261C
• A-D: ALA206A, ALA206D, ALA209A, ALA209D, ALA243A, ALA243D, ASP240A, ASP240D, ASP242A, ASP242D, GLU217A, GLU217D, GLU241A, GLU241D, GLU246A, GLU246D, GLU7A, GLU7D, HIS207A, ILE5A, ILE5D, LEU245A, LEU245D, LEU247A, LEU247D, LEU6A, LYS248A, LYS248D, LYS250A, LYS250D, LYS253A, LYS253D, LYS256A, LYS256D, PHE210A, PHE210D, THR244A, THR244D, THR251A, THR251D, TYR213A, TYR213D, TYR254A, TYR254D, VAL249A, VAL249D, VAL252A, VAL252D
• A-E: ALA206A, ALA206E, ALA209A, ALA209E, ASP165A, ASP165E, ASP242A, ASP242E, GLU218A, GLU241A, GLU241E, GLU246A, GLU246E, GLY205A, GLY205E, HIS207A, HIS207E, LEU168A, LEU168E, LEU178A, LEU178E, LEU245A, LEU245E, LYS208A, LYS208E, LYS214A, LYS214E, MET164A, MET164E, MET223A, PHE210A, PHE210E, TRP224A, TRP224E, TYR213A, TYR213E
• B-C: ALA163C, ALA215B, ALA228B, ALA228C, ARG156C, ARG158C, ARG234B, ASN221B, ASN221C, ASP141C, ASP165C, GLN230B, GLN231B, GLN231C, GLU148C, GLU217B, GLU218B, GLU218C, GLY150C, GLY191C, GLY219B, GLY219C, GLY257B, HIS222C, HIS232B, HIS262B, ILE216B, LEU153C, LEU162C, LEU168C, LEU212B, LEU247B, LEU258B, LEU260B, LEU3B, LYS160C, LYS214B, LYS214C, LYS248B, LYS250B, LYS253B, LYS264B, LYS2B, MET164C, MET184C, MET194B, MET194C, MET1B, MET223C, PHE146C, PHE210C, PHE229B, PHE237B, PHE255B, PRO140C, PRO149C, PRO233B, SER151C, SER152C, SER155C, SER227B, SER227C, THR161C, THR166C, THR183C, THR225C, THR235B, THR251B, TRP224C, TYR213B, TYR254B, VAL154C, VAL159C, VAL190C, VAL220B, VAL220C, VAL249B, VAL261B
• B-D: ALA206B, ALA206D, ALA209B, ASP141D, ASP165B, ASP165D, ASP242B, ASP242D, GLU218B, GLU241B, GLU246B, GLU246D, GLY205B, GLY205D, HIS207B, HIS207D, LEU168B, LEU168D, LEU178B, LEU178D, LEU245B, LEU245D, LYS208B, LYS214B, LYS214D, MET164B, MET164D, PHE210B, PHE210D, TRP224B, TRP224D, TYR213B, TYR213D
• B-F: ALA206B, ALA206F, ALA209B, ALA209F, ALA243B, ALA243F, ASP240B, ASP240F, ASP242B, ASP242F, GLU217B, GLU217F, GLU241B, GLU241F, GLU246B, GLU246F, GLU7B, GLU7F, HIS207F, ILE5B, ILE5F, LEU245B, LEU245F, LEU247B, LEU247F, LEU3B, LEU3F, LEU6B, LEU6F, LYS248B, LYS248F, LYS250B, LYS250F, LYS253B, LYS253F, LYS256B, LYS256F, PHE210B, PHE210F, THR244B, THR244F, THR251B, THR251F, TYR213B, TYR213F, TYR254B, TYR254F, VAL249B, VAL249F, VAL252B, VAL252F
• C-E: ALA206C, ALA206E, ALA209C, ALA209E, ALA243C, ALA243E, ASP242C, ASP242E, GLU217C, GLU217E, GLU241C, GLU241E, GLU246C, GLU246E, GLU7E, HIS207E, ILE5C, ILE5E, LEU245C, LEU245E, LEU247C, LEU247E, LYS248C, LYS248E, LYS250C, LYS250E, LYS253C, LYS253E, LYS256C, LYS256E, PHE210C, PHE210E, THR244C, THR244E, THR251C, THR251E, TYR213C, TYR213E, TYR254C, TYR254E, VAL249C, VAL249E, VAL252C, VAL252E
• C-F: ALA206C, ALA206F, ASP165C, ASP165F, ASP242C, ASP242F, GLU241C, GLU241F, GLU246C, GLU246F, GLY205C, GLY205F, HIS207C, HIS207F, LEU168C, LEU168F, LEU178C, LEU178F, LEU245C, LEU245F, LYS208C, LYS214C, LYS214F, MET164C, MET164F, PHE210C, PHE210F, TRP224C, TRP224F, TYR213C, TYR213F
• D-E: ALA163E, ALA215D, ALA228D, ALA228E, ARG156E, ARG158E, ARG234D, ASN221D, ASN221E, ASP141E, ASP165E, GLN230D, GLN231D, GLN231E, GLU148E, GLU217D, GLU218D, GLU218E, GLY150E, GLY191E, GLY219D, GLY219E, GLY257D, HIS222E, HIS232D, HIS262D, ILE167E, ILE216D, LEU153E, LEU162E, LEU168E, LEU212D, LEU247D, LEU258D, LEU3D, LYS160E, LYS214D, LYS214E, LYS248D, LYS250D, LYS253D, LYS264D, LYS2D, MET164E, MET184E, MET194D, MET194E, MET1D, MET223E, PHE146E, PHE210E, PHE229D, PHE237D, PHE255D, PRO140E, PRO149E, PRO233D, SER151E, SER152E, SER155E, SER227D, SER227E, THR161E, THR166E, THR183E, THR225E, THR235D, THR251D, TRP224E, TYR213D, TYR254D, VAL154E, VAL159E, VAL190E, VAL220D, VAL220E, VAL249D, VAL261D
• D-F: ALA163D, ALA215F, ALA228D, ALA228F, ARG156D, ARG158D, ARG234F, ASN147D, ASN221D, ASN221F, ASP141D, ASP165D, GLN230F, GLN231D, GLN231F, GLU148D, GLU217F, GLU218D, GLU218F, GLY150D, GLY191D, GLY219D, GLY219F, GLY257F, HIS222D, HIS232F, HIS262F, ILE216F, LEU153D, LEU162D, LEU168D, LEU212F, LEU247F, LEU258F, LEU3F, LYS160D, LYS214D, LYS214F, LYS248F, LYS250F, LYS253F, LYS264F, LYS2F, MET164D, MET184D, MET194D, MET194F, MET1F, MET223D, PHE146D, PHE210D, PHE229F, PHE237F, PHE255F, PRO149D, PRO233F, SER151D, SER152D, SER155D, SER227D, SER227F, THR161D, THR166D, THR183D, THR225D, THR235F, THR251F, TRP224D, TYR213F, TYR254F, VAL154D, VAL159D, VAL190D, VAL220D, VAL220F, VAL249F, VAL261F
• E-F: ALA163F, ALA215E, ALA228E, ALA228F, ARG156F, ARG158F, ARG234E, ASN147F, ASN221E, ASN221F, ASP141F, ASP165F, GLN230E, GLN231E, GLN231F, GLU148F, GLU217E, GLU218E, GLU218F, GLY150F, GLY191F, GLY219E, GLY219F, GLY257E, HIS222F, HIS232E, HIS262E, ILE167F, ILE216E, LEU153F, LEU162F, LEU168F, LEU212E, LEU247E, LEU258E, LEU3E, LYS160F, LYS214E, LYS214F, LYS248E, LYS250E, LYS253E, LYS264E, LYS2E, MET164F, MET184F, MET194E, MET194F, MET1E, MET223F, PHE146F, PHE210F, PHE229E, PHE237E, PHE255E, PRO140F, PRO149F, PRO233E, SER151F, SER152F, SER155F, SER227E, SER227F, THR161F, THR166F, THR183F, THR225F, THR235E, THR251E, TRP224F, TYR213E, TYR254E, VAL154F, VAL159F, VAL190F, VAL220E, VAL220F, VAL249E, VAL252E, VAL261E