3HN6

crystal structure of glucosamine-6-phosphate deaminase from borrelia burgdorferi

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 49
  • Norm. En. per Res.: -5.0767
• 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	0.0	8.0091	-20.9468	-12.9377	27	1	0	762	4	10	11
A-C	-127.8061	-9.8776	-257.847	-395.5307	96	14	3	10071	2	27	36
A-D	-64.8731	-34.5206	-144.944	-244.3377	51	7	7	5400	4	22	25
A-E	-83.9894	0.2352	-231.881	-315.6352	92	12	2	9704	0	25	35
B-C	-59.6802	-33.1915	-141.554	-234.4257	47	8	7	5391	4	22	25
B-D	-101.9917	-5.8305	-256.633	-364.4552	94	13	2	9864	1	26	32
B-F	-69.3644	6.7516	-212.027	-274.6398	95	13	3	8675	0	25	34
C-E	-95.99	8.337	-252.443	-340.096	96	15	2	9877	0	25	34
C-F	-2.2107	18.7757	-22.923	-6.358	23	0	0	748	5	11	10
D-E	-18.1812	15.4061	-30.1394	-32.9146	25	1	0	841	8	10	12
D-F	-99.7438	-2.9771	-250.162	-352.8829	94	20	2	10387	2	26	32
E-F	-65.5244	-38.102	-145.13	-248.7564	49	9	7	5419	4	22	25

Interface residues

• A-B: ALA209A, ALA209B, ALA211A, ALA211B, ARG210A, ARG210B, ASN242A, ASN242B, ASP165A, ASP165B, GLN164A, GLN164B, GLU246A, GLU246B, HIS206A, HIS206B, HIS214A, HIS214B, ILE168A, ILE168B, LYS213A, LYS213B, LYS218A, TRP224A, TRP224B, TYR245A, TYR245B
• A-C: ALA185A, ALA215C, ALA228A, ALA228C, ALA235C, ARG156A, ARG158A, ARG210A, ARG260C, ARG2C, ASN147A, ASN184A, ASN221A, ASN221C, ASN234C, ASN262C, ASN264C, ASN265C, ASP141A, ASP165A, ASP257C, ASP266C, GLN164A, GLN230C, GLU148A, GLU217C, GLU253C, GLU259C, GLY-1C, GLY109A, GLY150A, GLY219A, GLY219C, GLY250C, GLY76A, HIS143A, HIS214A, HIS214C, HIS222A, HIS232C, ILE159A, ILE167A, ILE168A, ILE190A, ILE216C, ILE237C, ILE258C, ILE75A, LEU114A, LEU153A, LEU153C, LEU162A, LEU186A, LEU212C, LEU229C, LEU231A, LEU231C, LEU247C, LEU267C, LEU3C, LYS160A, LYS183A, LYS213C, LYS218A, LYS218C, LYS233C, LYS248C, LYS261C, LYS268C, MET194C, MET1C, MET223A, PHE146A, PHE255C, PHE263C, PRO-2C, PRO149A, SER0C, SER151A, SER152A, SER155A, SER227A, SER227C, THR154A, THR161A, THR163A, THR166A, THR187A, THR225A, THR251C, TRP224A, TYR254C, VAL178A, VAL181A, VAL220A, VAL220C
• A-D: ALA209A, ALA209D, ALA243A, ALA243D, ARG210A, ARG210D, ARG260A, ARG260D, ASN242A, ASN242D, ASN256A, ASN256D, ASP240D, ASP257A, ASP257D, GLU217A, GLU217D, GLU246A, GLU246D, GLU253A, GLU253D, GLY250A, GLY250D, HIS206A, HIS206D, ILE5A, ILE5D, LEU212A, LEU247A, LEU247D, LEU3A, LEU3D, LYS213A, LYS213D, LYS218A, LYS241A, LYS241D, LYS248A, LYS248D, THR244A, THR244D, THR251A, THR251D, TYR245A, TYR245D, TYR254A, TYR254D, VAL249A, VAL249D, VAL252A, VAL252D
• A-E: ALA185E, ALA215A, ALA228A, ALA228E, ALA235A, ARG156E, ARG158E, ARG210E, ARG260A, ARG2A, ASN147E, ASN184E, ASN221A, ASN221E, ASN234A, ASN256A, ASN262A, ASN264A, ASN265A, ASP141E, ASP165E, ASP257A, ASP266A, GLN164E, GLN230A, GLU148E, GLU217A, GLU253A, GLU259A, GLY-1A, GLY150E, GLY219A, GLY219E, GLY250A, HIS143E, HIS214A, HIS214E, HIS222E, HIS232A, ILE159E, ILE167E, ILE168E, ILE190E, ILE216A, ILE237A, ILE258A, ILE75E, LEU114E, LEU153E, LEU162E, LEU186E, LEU212A, LEU229A, LEU231A, LEU231E, LEU247A, LEU267A, LEU3A, LYS160E, LYS183E, LYS213A, LYS218A, LYS218E, LYS233A, LYS248A, LYS261A, MET194A, MET1A, MET223E, PHE146E, PHE255A, PHE263A, PRO-2A, PRO149E, SER0A, SER151E, SER152E, SER155E, SER227A, SER227E, THR154E, THR161E, THR163E, THR166E, THR187E, THR225E, THR251A, TRP224E, TYR254A, VAL220A, VAL220E, VAL252A
• B-C: ALA209B, ALA209C, ALA243B, ALA243C, ARG210B, ARG210C, ARG260B, ASN242B, ASN242C, ASN256B, ASN256C, ASP257B, ASP257C, GLU217B, GLU217C, GLU246B, GLU246C, GLU253B, GLU253C, GLY250B, GLY250C, HIS206B, HIS206C, ILE5B, ILE5C, LEU247B, LEU247C, LEU3B, LEU3C, LYS213B, LYS213C, LYS241B, LYS241C, LYS248B, LYS248C, THR244B, THR244C, THR251B, THR251C, TYR245B, TYR245C, TYR254B, TYR254C, VAL249B, VAL249C, VAL252B, VAL252C
• B-D: ALA185B, ALA215D, ALA228B, ALA228D, ALA235D, ARG156B, ARG158B, ARG210B, ARG260D, ARG2D, ASN147B, ASN184B, ASN221B, ASN221D, ASN234D, ASN262D, ASN264D, ASN265D, ASP141B, ASP165B, ASP257D, ASP266D, GLN164B, GLN230D, GLU148B, GLU217D, GLU253D, GLU259D, GLY-1D, GLY150B, GLY219B, GLY219D, GLY250D, GLY76B, HIS143B, HIS214B, HIS214D, HIS222B, HIS232D, ILE159B, ILE167B, ILE168B, ILE190B, ILE216D, ILE237D, ILE258D, ILE75B, LEU114B, LEU153B, LEU153D, LEU162B, LEU186B, LEU212D, LEU229D, LEU231B, LEU231D, LEU247D, LEU267D, LEU3D, LYS160B, LYS183B, LYS213D, LYS218B, LYS218D, LYS233D, LYS248D, LYS261D, MET194D, MET1D, MET223B, PHE146B, PHE255D, PHE263D, PRO-2D, PRO149B, SER0D, SER151B, SER152B, SER155B, SER227B, SER227D, THR154B, THR161B, THR163B, THR166B, THR187B, THR225B, THR251D, TRP224B, TYR254D, VAL178B, VAL220B, VAL220D, VAL252D
• B-F: ALA185F, ALA215B, ALA228F, ALA235B, ARG156F, ARG158F, ARG210F, ARG260B, ARG2B, ASN113F, ASN147F, ASN184F, ASN221B, ASN221F, ASN234B, ASN262B, ASN264B, ASN265B, ASP141F, ASP165F, ASP257B, ASP266B, GLN164F, GLN230B, GLU148F, GLU217B, GLU253B, GLU259B, GLY-1B, GLY109F, GLY150F, GLY189F, GLY219B, GLY219F, GLY250B, HIS143F, HIS214B, HIS214F, HIS222F, HIS232B, ILE159F, ILE167F, ILE168F, ILE190F, ILE216B, ILE237B, ILE258B, ILE75F, LEU114F, LEU153F, LEU162F, LEU186F, LEU212B, LEU229B, LEU231B, LEU231F, LEU247B, LEU267B, LEU3B, LYS115F, LYS160F, LYS183F, LYS213B, LYS218B, LYS218F, LYS233B, LYS248B, LYS261B, MET1B, MET223F, PHE146F, PHE255B, PHE263B, PRO-2B, PRO149F, SER0B, SER112F, SER151F, SER152F, SER155F, SER227B, SER227F, THR154F, THR161F, THR163F, THR166F, THR187F, THR225F, THR251B, TRP224F, TYR254B, VAL178F, VAL220B, VAL220F, VAL252B
• C-E: ALA185C, ALA215E, ALA228C, ALA228E, ALA235E, ARG156C, ARG158C, ARG210C, ARG260E, ARG2E, ASN147C, ASN184C, ASN221C, ASN221E, ASN234E, ASN262E, ASN264E, ASN265E, ASP141C, ASP165C, ASP257E, ASP266E, GLN164C, GLN230E, GLU148C, GLU217E, GLU253E, GLU259E, GLY-1E, GLY150C, GLY189C, GLY191C, GLY219C, GLY219E, GLY250E, HIS143C, HIS214C, HIS214E, HIS222C, HIS232E, ILE159C, ILE167C, ILE168C, ILE190C, ILE216E, ILE237E, ILE258E, ILE75C, LEU114C, LEU153C, LEU153E, LEU162C, LEU186C, LEU212E, LEU229E, LEU231C, LEU231E, LEU247E, LEU267E, LEU3E, LYS160C, LYS183C, LYS213E, LYS218C, LYS218E, LYS233E, LYS248E, LYS261E, MET194E, MET1E, MET223C, PHE146C, PHE255E, PHE263E, PRO-2E, PRO149C, SER0E, SER151C, SER152C, SER155C, SER227C, SER227E, THR154C, THR157C, THR161C, THR163C, THR166C, THR187C, THR192C, THR225C, THR251E, TRP224C, TYR254E, VAL220C, VAL220E, VAL252E
• C-F: ALA209C, ALA209F, ALA211C, ALA211F, ARG210C, ARG210F, ASN207C, ASP165C, ASP165F, GLN164C, GLU246C, GLU246F, HIS206C, HIS206F, HIS214C, HIS214F, ILE168C, LYS213C, LYS213F, TRP224C, TRP224F, TYR245C, TYR245F
• D-E: ALA209D, ALA209E, ALA211D, ALA211E, ARG210D, ARG210E, ASN207D, ASN242E, ASP165D, ASP165E, GLN164E, GLU246D, GLU246E, HIS206D, HIS206E, HIS214D, HIS214E, ILE168D, LYS213D, LYS213E, LYS218E, TRP224D, TRP224E, TYR245D, TYR245E
• D-F: ALA185D, ALA215F, ALA228D, ALA228F, ALA235F, ARG156D, ARG158D, ARG210D, ARG260F, ARG2F, ASN147D, ASN184D, ASN221D, ASN221F, ASN234F, ASN262F, ASN264F, ASN265F, ASP141D, ASP165D, ASP257F, ASP266F, GLN164D, GLN230F, GLU148D, GLU217F, GLU253F, GLU259F, GLY-1F, GLY150D, GLY189D, GLY191D, GLY219D, GLY219F, GLY250F, HIS143D, HIS214D, HIS214F, HIS222D, HIS232F, ILE159D, ILE167D, ILE168D, ILE190D, ILE216F, ILE237F, ILE258F, ILE75D, LEU114D, LEU153D, LEU162D, LEU212F, LEU229F, LEU231D, LEU231F, LEU247F, LEU267F, LEU3F, LYS160D, LYS183D, LYS213F, LYS218D, LYS218F, LYS233F, LYS248F, LYS261F, MET1F, MET223D, PHE146D, PHE255F, PHE263F, PRO-2F, PRO149D, SER0F, SER151D, SER152D, SER155D, SER227D, SER227F, THR154D, THR157D, THR161D, THR163D, THR166D, THR187D, THR192D, THR251F, TRP224D, TYR254F, VAL178D, VAL181D, VAL220D, VAL220F, VAL252F
• E-F: ALA209E, ALA209F, ALA243E, ALA243F, ARG210E, ARG210F, ARG260E, ARG260F, ASN242E, ASN242F, ASN256E, ASN256F, ASP257E, ASP257F, GLU217E, GLU217F, GLU246E, GLU246F, GLU253E, GLU253F, GLY250E, GLY250F, HIS206E, HIS206F, ILE5E, ILE5F, LEU247E, LEU247F, LEU3F, LYS213E, LYS213F, LYS218E, LYS218F, LYS241E, LYS241F, LYS248E, LYS248F, THR244E, THR244F, THR251E, THR251F, TYR245E, TYR245F, TYR254E, TYR254F, VAL249E, VAL249F, VAL252E, VAL252F