2CB3

crystal structure of peptidoglycan recognition protein-le in complex with tracheal cytotoxin (monomeric diaminopimelic acid-type peptidoglycan)

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 64
  • Norm. En. per Res.: -2.2184
• 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	-17.5457	5.6824	-133.885	-145.7483	66	9	2	5735	5	29	23
A-C	-10.432	-2.1608	-129.387	-141.9798	64	16	2	5869	5	28	22
A-D	0.0	-3.0253	-18.7913	-21.8165	29	2	1	1062	0	4	9
B-C	-14.2461	-2.9248	-17.5408	-34.7117	28	3	1	1067	0	4	9
B-D	-10.8963	2.5794	-134.156	-142.4729	65	9	2	5830	5	29	23

Interface residues

• A-B: ALA185B, ALA208A, ALA216B, ARG180B, ARG215B, ARG220A, ARG220B, ARG223A, ARG223B, ARG233A, ARG325A, ASN218B, ASN236B, ASP190B, ASP224A, ASP224B, CYS278A, GLN186B, GLN226A, GLN226B, GLU191B, GLU210A, GLU231A, GLU231B, GLU282A, GLU321A, GLY234A, GLY277A, GLY324A, HIS206A, HIS229A, ILE217A, ILE217B, ILE222A, ILE222B, ILE230A, ILE230B, ILE276A, LEU184B, LEU221A, LEU221B, LYS187B, LYS214B, LYS281A, MET189B, MET225A, MET225B, MET280A, PHE228A, PHE279A, PRO179B, PRO188B, SER181B, SER182B, SER211A, SER227A, SER227B, SER232A, SER319A, SER322A, THR207A, THR209A, THR320A, TRP183B, TYR240A, VAL219B
• A-C: ALA185A, ALA208C, ALA216A, ARG180A, ARG215A, ARG220A, ARG220C, ARG223A, ARG223C, ARG233C, ARG325C, ASN218A, ASN236A, ASP190A, ASP224A, ASP224C, CYS278C, GLN186A, GLN226A, GLN226C, GLU191A, GLU210C, GLU231A, GLU231C, GLU282C, GLU321C, GLY234C, GLY277C, HIS206C, HIS229C, ILE217A, ILE217C, ILE222A, ILE222C, ILE230A, ILE230C, ILE276C, LEU184A, LEU221A, LEU221C, LYS187A, LYS214A, LYS281C, MET189A, MET225A, MET225C, MET280C, PHE228C, PHE279C, PRO179A, PRO188A, SER181A, SER182A, SER211C, SER227A, SER227C, SER232C, SER322C, THR207C, THR209C, THR320C, TRP183A, TYR240C, VAL219A
• A-D: ALA176D, ALA216D, ARG215D, ARG233A, ASN218D, ASN249D, ASN318A, ASP247D, CYS246D, GLU213D, GLU321A, GLY248D, HIS314A, ILE177D, ILE178D, ILE217D, LEU264A, LYS214D, MET291D, PRO179D, SER175D, SER181D, SER182D, SER212D, SER232A, SER319A, THR320A, TRP235A, TYR251D
• B-C: ALA176B, ALA216B, ARG215B, ARG233C, ASN218B, ASN249B, ASN318C, ASP247B, CYS246B, GLU213B, GLU321C, GLY248B, HIS314C, ILE177B, ILE178B, ILE217B, LEU184B, LEU264C, LYS214B, PRO179B, SER175B, SER181B, SER182B, SER319C, THR320C, TRP235C, TYR251B, VAL219B
• B-D: ALA185D, ALA208B, ALA216D, ARG180D, ARG215D, ARG220B, ARG220D, ARG223B, ARG223D, ARG233B, ARG325B, ASN218D, ASN236D, ASP190D, ASP224B, ASP224D, CYS278B, GLN186D, GLN226B, GLN226D, GLU191D, GLU210B, GLU231B, GLU231D, GLU282B, GLU321B, GLY234B, GLY277B, GLY324B, HIS206B, HIS229B, ILE217B, ILE217D, ILE222B, ILE222D, ILE230B, ILE230D, ILE276B, LEU184D, LEU221B, LEU221D, LYS187D, LYS214D, LYS281B, MET189D, MET225B, MET225D, MET280B, PHE228B, PHE279B, PRO179D, PRO188D, SER181D, SER182D, SER211B, SER227B, SER227D, SER232B, SER322B, THR207B, THR209B, THR320B, TRP183D, TYR240B, VAL219D