3P5G

structure of the carbohydrate-recognition domain of human langerin with blood group b trisaccharide (gal alpha1-3(fuc alpha1-2)gal)

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 79
  • Norm. En. per Res.: -2.384
• Hub Node: A(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
A-C	-25.1359	4.5641	-167.765	-188.3367	79	6	3	6042	0	16	18
A-D	-17.6961	14.2327	-136.336	-139.7994	68	9	2	5757	0	8	16
B-C	-15.8961	14.8325	-134.202	-135.2657	68	9	2	6113	0	10	16
B-D	-15.4836	4.7143	-162.66	-173.4293	78	8	3	6096	0	12	18

Interface residues

• A-C: ALA219A, ALA219C, ALA258A, ALA258C, ARG226A, ARG226C, ARG321C, ASN227A, ASN227C, ASN292A, ASN292C, ASP263A, ASP263C, ASP312A, ASP312C, CYS223A, CYS223C, CYS295A, CYS295C, CYS311A, CYS311C, GLN221A, GLN221C, GLU220A, GLU220C, GLU261A, GLU261C, GLU293A, GLU293C, GLY254A, GLY259A, GLY259C, GLY262A, GLY262C, GLY296A, GLY296C, HIS229A, HIS229C, HIS294A, HIS294C, LEU230A, LEU255A, LEU255C, LYS214A, LYS214C, LYS257A, LYS257C, LYS313A, LYS313C, MET260A, MET260C, PHE222A, PHE222C, PRO310A, PRO310C, SER218A, SER218C, SER225A, SER225C, SER228A, SER228C, SER265A, SER265C, THR215A, THR215C, THR256A, THR256C, THR314A, THR314C, TRP216A, TRP216C, TRP264A, TRP264C, TYR217A, TYR217C, VAL224A, VAL224C, VAL267A, VAL267C
• A-D: ALA278A, ALA278D, ARG279A, ARG279D, ARG321D, ASN205A, ASN205D, ASN273A, ASN273D, ASP263A, ASP263D, ASP268A, ASP268D, ASP269A, ASP269D, GLN276A, GLN276D, GLU238A, GLU238D, GLU261D, GLY204A, GLY204D, HIS229A, HIS229D, LYS203A, LYS203D, LYS274A, LYS274D, LYS320A, LYS320D, PHE202A, PHE202D, PHE206A, PHE206D, PHE272A, PHE272D, PRO271A, PRO271D, PRO322A, PRO322D, PRO325A, PRO325D, SER232A, SER232D, SER235A, SER235D, SER237A, SER237D, SER277A, SER277D, THR234A, THR234D, THR270A, THR270D, TRP264D, TRP266A, TRP266D, TYR201A, TYR201D, TYR207A, TYR207D, TYR323A, TYR323D, VAL267A, VAL275A, VAL275D, VAL324A, VAL324D
• B-C: ALA278B, ARG279B, ARG279C, ARG321B, ASN205B, ASN205C, ASN273B, ASN273C, ASP263B, ASP263C, ASP268B, ASP268C, ASP269B, ASP269C, GLN276B, GLN276C, GLU236B, GLU238C, GLU261B, GLU261C, GLY204B, GLY204C, HIS229B, HIS229C, LYS203B, LYS203C, LYS274B, LYS274C, LYS320B, LYS320C, PHE202B, PHE202C, PHE206B, PHE206C, PHE272B, PHE272C, PRO271B, PRO271C, PRO322B, PRO322C, PRO325B, PRO325C, SER232B, SER232C, SER235B, SER235C, SER237B, SER237C, SER277B, SER277C, THR234B, THR234C, THR270B, THR270C, TRP264C, TRP266B, TRP266C, TYR201B, TYR201C, TYR207B, TYR207C, TYR323B, TYR323C, VAL267C, VAL275B, VAL275C, VAL324B, VAL324C
• B-D: ALA219B, ALA219D, ALA258B, ALA258D, ARG226B, ARG226D, ARG321D, ASN227B, ASN227D, ASN292B, ASN292D, ASP263B, ASP263D, ASP312B, ASP312D, CYS223B, CYS223D, CYS295B, CYS295D, CYS311B, CYS311D, GLN221B, GLN221D, GLU220B, GLU220D, GLU261B, GLU261D, GLU293B, GLU293D, GLY254D, GLY259B, GLY259D, GLY262B, GLY262D, GLY296B, GLY296D, HIS229B, HIS229D, HIS294B, HIS294D, LEU255B, LEU255D, LYS214B, LYS214D, LYS257B, LYS257D, LYS313B, LYS313D, MET260B, MET260D, PHE222B, PHE222D, PRO310B, PRO310D, SER218B, SER218D, SER225B, SER225D, SER228B, SER228D, SER265B, SER265D, THR215B, THR215D, THR256B, THR256D, THR314B, THR314D, TRP216B, TRP216D, TRP264B, TRP264D, TYR217B, TYR217D, VAL224B, VAL224D, VAL267B, VAL267D