3GI9

crystal structure of apct transporter bound to 7f11 monoclonal fab fragment

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: H-C
  • Int. Res.: 75
  • Norm. En. per Res.: -3.6609
• Hub Node: L(2)

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
L-H	-14.9023	-3.1639	-509.303	-527.3693	182	13	7	19237	0	14	11
L-C	0.0	1.4165	-22.7492	-21.3327	17	0	0	1054	0	1	2
H-C	-36.597	-12.0977	-225.871	-274.5657	75	9	7	9061	3	22	17

Interface residues

• L-H: ALA136H, ALA136L, ALA179H, ALA40L, ALA57L, ALA97H, ARG98H, ASN108H, ASN143L, ASN144L, ASN167L, ASN31L, ASN34L, ASN37L, ASN59H, ASN61H, ASN63H, ASP112H, ASP171L, ASP173L, ASP176L, ASP1L, ASP91L, CYS140L, CYS151H, CYS94L, CYS96H, GLN116H, GLN130L, GLN182H, GLN35L, GLN39H, GLN43H, GLN43L, GLN44L, GLN48L, GLN62H, GLN6H, GLN6L, GLN95L, GLN96L, GLU129L, GLU46H, GLU50H, GLU61L, GLY105L, GLY106L, GLY107L, GLY115H, GLY117H, GLY134L, GLY135L, GLY144H, GLY150H, GLY42H, GLY44H, GLY47L, GLY49H, HIS175H, HIS97L, ILE123L, ILE48H, LEU131L, LEU135H, LEU142L, LEU149H, LEU152H, LEU166L, LEU180H, LEU181H, LEU185H, LEU187L, LEU221H, LEU39L, LEU45H, LEU52L, LEU53L, LYS154H, LYS175L, LYS213L, LYS219H, LYS220H, LYS36L, LYS38H, LYS51L, MET111H, MET181L, MET188H, PHE104L, PHE124L, PHE141L, PHE145L, PHE177H, PHE56L, PHE64H, PHE92L, PHE93L, PHE95H, PRO100H, PRO101L, PRO110H, PRO125L, PRO126L, PRO134H, PRO137H, PRO178H, PRO46L, PRO50L, SER122L, SER127L, SER128L, SER131H, SER133L, SER137L, SER146H, SER168L, SER171H, SER172H, SER173H, SER180L, SER182L, SER183H, SER183L, SER189H, SER190H, SER191H, SER33L, SER49L, SER62L, SER99H, SER99L, THR100L, THR103L, THR105H, THR106H, THR120L, THR132L, THR148H, THR170L, THR176H, THR178L, THR184L, THR186L, THR187H, THR193H, THR59L, TRP114H, TRP165H, TRP169L, TRP199H, TRP33H, TRP36H, TRP41L, TRP47H, TYR102H, TYR102L, TYR107H, TYR109H, TYR113H, TYR133H, TYR179L, TYR186H, TYR35H, TYR38L, TYR42L, TYR55L, TYR57H, TYR60H, TYR98L, VAL121L, VAL132H, VAL138L, VAL139L, VAL147H, VAL153H, VAL165L, VAL174H, VAL192H, VAL217H, VAL37H, VAL54L, VAL93H
• L-C: ALA40L, ARG60L, ASN34L, GLU2C, GLU61L, HIS97L, LEU3C, LEU52L, LYS145C, MET1C, PHE56L, SER33L, SER62L, THR59L, TYR42L, TYR55L, VAL54L
• H-C: ARG314C, ARG425C, ARG98H, ASN108H, ASN140C, ASN430C, ASN5C, ASP112H, ASP305C, ASP52H, ASP55H, GLN1H, GLU2C, GLU307C, GLU310C, GLU313C, GLU437C, GLY104H, GLY26H, GLY306C, HIS101H, HIS213C, LEU308C, LEU3C, LEU436C, LYS145C, LYS304C, LYS315C, LYS319C, LYS424C, LYS434C, LYS4C, LYS6C, LYS74H, MET111H, MET1C, MET431C, PHE29H, PHE311C, PHE312C, PHE318C, PRO100H, PRO110H, PRO309C, PRO53H, SER25H, SER301C, SER31H, SER320C, SER428C, SER435C, SER438C, SER54H, SER56H, SER75H, SER99H, THR105H, THR106H, THR28H, THR30H, THR423C, THR426C, TRP317C, TYR102H, TYR103H, TYR107H, TYR109H, TYR113H, TYR27H, TYR32H, TYR35H, TYR57H, VAL2H, VAL316C, VAL433C