3TMG

crystal structure of glycine betaine, l-proline abc transporter, glycine/betaine/l-proline-binding protein (prox) from borrelia burgdorferi

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 75
  • Norm. En. per Res.: -2.0949
• Hub Node: A(1)

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	-58.4504	18.8797	-103.584	-143.1547	79	7	2	4288	2	24	28
B-D	-49.3231	-10.2512	-97.5435	-157.1179	75	9	1	4291	3	22	32
C-D	-66.1259	15.0124	-105.046	-156.1595	80	8	2	4401	2	23	29

Interface residues

• A-B: ALA103A, ALA175B, ARG264B, ASN104A, ASN255B, ASN34B, ASN43B, ASN55B, ASP100A, ASP141B, ASP207A, ASP208A, ASP210A, ASP239A, ASP245A, ASP246A, GLN68B, GLU106A, GLU217A, GLU258B, GLU262B, GLU57B, GLU92A, GLY102A, GLY107A, GLY214A, GLY215A, GLY260B, HIS220A, HIS240A, ILE109A, ILE212A, ILE216A, ILE276A, ILE58B, ILE65B, ILE75B, LEU101A, LEU211A, LYS257B, LYS261B, LYS29B, LYS46B, LYS74B, PHE238A, PHE241A, PHE59B, PRO209A, PRO259B, PRO84A, SER169B, SER171B, SER218A, SER244A, SER60B, SER72B, THR108A, THR221A, THR279A, THR39B, THR62B, THR63B, THR85A, TRP243A, TRP280A, TYR105A, TYR156A, TYR157A, TYR235A, TYR236A, TYR242A, TYR263B, TYR32B, TYR69B, VAL172B, VAL219A, VAL237A, VAL33B, VAL61B
• B-D: ALA103B, ALA56D, ARG264D, ASN104B, ASN255D, ASN34D, ASN43D, ASN55D, ASP100B, ASP207B, ASP208B, ASP210B, ASP239B, ASP245B, GLN68D, GLU106B, GLU217B, GLU258D, GLU262D, GLU50D, GLU57D, GLU92B, GLY102B, GLY107B, GLY214B, GLY215B, GLY260D, HIS220B, HIS240B, ILE109B, ILE212B, ILE216B, ILE58D, ILE65D, ILE75D, LEU101B, LEU211B, LYS257D, LYS261D, LYS46D, LYS74D, LYS95B, PHE238B, PHE241B, PHE59D, PRO209B, PRO259D, PRO84B, SER171D, SER218B, SER244B, SER60D, THR108B, THR221B, THR279B, THR39D, THR62D, THR85B, TRP243B, TRP280B, TYR105B, TYR156B, TYR157B, TYR235B, TYR236B, TYR242B, TYR263D, TYR32D, TYR69D, TYR91B, VAL172D, VAL219B, VAL237B, VAL33D, VAL61D
• C-D: ALA103D, ALA175C, ARG264C, ASN104D, ASN255C, ASN34C, ASN43C, ASN55C, ASP100D, ASP141C, ASP207D, ASP208D, ASP210D, ASP239D, ASP245D, ASP246D, GLN68C, GLU106D, GLU217D, GLU258C, GLU262C, GLU57C, GLU92D, GLY102D, GLY107D, GLY214D, GLY215D, GLY260C, GLY31C, HIS220D, HIS240D, ILE109D, ILE212D, ILE216D, ILE58C, ILE65C, ILE75C, LEU101D, LEU211D, LYS257C, LYS261C, LYS29C, LYS46C, LYS74C, LYS88D, PHE238D, PHE241D, PHE59C, PRO209D, PRO259C, PRO84D, SER169C, SER171C, SER218D, SER244D, SER60C, SER72C, THR108D, THR221D, THR279D, THR39C, THR62C, THR63C, THR85D, TRP243D, TRP280D, TYR105D, TYR156D, TYR157D, TYR235D, TYR236D, TYR242D, TYR263C, TYR32C, TYR69C, VAL172C, VAL219D, VAL237D, VAL33C, VAL61C