3P7G

structure of the human langerin carbohydrate recognition domain in complex with mannose

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 97
  • Norm. En. per Res.: -2.8591
• 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	-48.5272	8.6956	-237.501	-277.3326	97	9	2	9004	2	12	19
A-C	0.0	0.0	-43.2641	-43.2641	24	0	0	1188	0	0	1
A-D	-22.7014	4.4212	-143.165	-161.4453	74	1	3	5070	0	12	18
B-C	-9.3925	4.5219	-145.533	-150.4036	75	5	3	5146	0	12	20
C-D	-20.7348	13.6015	-190.346	-197.4792	86	9	2	7350	0	8	16

Interface residues

• A-B: ALA258B, ALA330A, ARG279A, ARG279B, ARG321A, ARG321B, ASN205A, ASN205B, ASN273A, ASN273B, ASN288B, ASN291B, ASN292B, ASP263A, ASP263B, ASP268A, ASP268B, ASP269A, ASP269B, ASP308B, CYS295B, CYS311B, GLN276A, GLN276B, GLU236A, GLU236B, GLU238A, GLU238B, GLU261A, GLU261B, GLU293B, GLU327A, GLY204A, GLY204B, GLY259B, GLY262B, GLY290B, HIS229A, HIS229B, HIS294B, LYS203A, LYS203B, LYS257B, LYS274A, LYS274B, LYS320A, LYS320B, PHE202A, PHE202B, PHE206A, PHE206B, PHE272A, PHE272B, PRO271A, PRO271B, PRO286B, PRO322A, PRO322B, PRO325A, PRO325B, PRO328A, SER232A, SER232B, SER235A, SER235B, SER237A, SER237B, SER265B, SER277A, SER277B, SER326A, SER329A, SER332A, THR231B, THR234A, THR234B, THR256B, THR270A, THR270B, TRP264A, TRP264B, TRP266A, TRP266B, TRP331A, TYR201A, TYR201B, TYR207A, TYR207B, TYR323A, TYR323B, VAL267A, VAL267B, VAL275A, VAL275B, VAL278A, VAL324A, VAL324B
• A-C: ARG226A, ARG226C, ASN227A, ASN227C, CYS223A, CYS223C, GLN221A, GLN221C, GLU220A, GLU220C, PHE222A, PHE222C, SER218A, SER218C, SER225A, SER225C, SER329A, SER332A, TRP331A, TRP331C, TYR217A, TYR217C, VAL224A, VAL224C
• A-D: ALA219A, ALA219D, ALA258A, ALA258D, ARG226A, ARG226D, ASN227A, ASN227D, ASN291A, ASN292A, ASN292D, ASP263A, ASP263D, ASP312A, ASP312D, CYS295A, CYS295D, CYS311A, CYS311D, GLN221A, GLN221D, GLU220A, GLU220D, GLU261A, GLU261D, GLU293A, GLU293D, GLY254A, GLY259A, GLY259D, GLY262A, GLY262D, GLY296A, GLY296D, HIS229A, HIS229D, HIS294A, HIS294D, LEU230A, LEU255A, LEU255D, LYS214A, LYS214D, LYS257A, LYS257D, LYS313A, LYS313D, PHE222A, PHE222D, PRO310A, PRO310D, SER218A, SER218D, SER225A, SER225D, SER228A, SER228D, SER265A, SER265D, THR215A, THR215D, THR256A, THR256D, THR314A, THR314D, TRP216A, TRP216D, TRP264D, TYR217A, TYR217D, VAL224A, VAL224D, VAL267A, VAL267D
• B-C: ALA219B, ALA219C, ALA258B, ALA258C, ARG226B, ARG226C, ASN227B, ASN227C, ASN292B, ASN292C, ASP263B, ASP263C, ASP312B, ASP312C, CYS223B, CYS295B, CYS295C, CYS311B, CYS311C, GLN221B, GLN221C, GLU220B, GLU220C, GLU261B, GLU261C, GLU293B, GLU293C, GLY254B, GLY259B, GLY259C, GLY262B, GLY262C, GLY296B, GLY296C, HIS229B, HIS229C, HIS294B, HIS294C, LEU230B, LEU255B, LEU255C, LYS214B, LYS214C, LYS257B, LYS257C, LYS313B, LYS313C, PHE222B, PHE222C, PRO310B, PRO310C, SER218B, SER218C, SER225B, SER225C, SER228B, SER228C, SER265B, SER265C, THR215B, THR215C, THR256B, THR256C, THR314B, THR314C, TRP216B, TRP216C, TRP264B, TRP264C, TYR217B, TYR217C, VAL224B, VAL224C, VAL267B, VAL267C
• C-D: ALA258D, ARG279C, ARG279D, ARG321C, ARG321D, ASN205C, ASN205D, ASN273C, ASN273D, ASN288D, ASN291D, ASN292D, ASP263C, ASP263D, ASP268C, ASP268D, ASP269C, ASP269D, CYS295D, CYS311D, GLN276C, GLN276D, GLU236C, GLU238C, GLU238D, GLU261C, GLU261D, GLU293D, GLY204C, GLY204D, GLY259D, GLY262D, GLY290D, HIS229C, HIS229D, HIS294D, LYS203C, LYS203D, LYS257D, LYS274C, LYS274D, LYS320C, LYS320D, PHE202C, PHE202D, PHE206C, PHE206D, PHE272C, PHE272D, PRO271C, PRO271D, PRO322C, PRO322D, PRO325C, PRO325D, SER232C, SER232D, SER235C, SER235D, SER237C, SER237D, SER277C, SER277D, SER326C, THR234C, THR234D, THR256D, THR270C, THR270D, TRP264D, TRP266C, TRP266D, TRP331C, TYR201C, TYR201D, TYR207C, TYR207D, TYR323C, TYR323D, VAL267C, VAL275C, VAL275D, VAL278C, VAL278D, VAL324C, VAL324D