1OKO

crystal structure of pseudomonas aeruginosa lectin 1 complexed with galactose at 1.6 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 19
  • Norm. En. per Res.: -4.1734
• 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	-30.5976	18.2922	-265.033	-277.3384	95	11	4	9682	0	12	13
A-C	-23.6663	0.0	-39.6962	-63.3625	17	5	0	1139	0	4	1
A-D	-38.8817	2.8552	-64.216	-100.2425	40	8	0	2892	0	6	7
B-C	-35.0857	2.7652	-68.737	-101.0575	41	8	0	2853	0	6	7
B-D	-27.8586	0.0	-51.4363	-79.2949	19	3	0	1280	0	4	2
C-D	-64.4998	20.7657	-268.876	-312.6101	99	18	4	9947	0	12	14

Interface residues

• A-B: ALA1A, ALA1B, ALA30A, ALA30B, ALA31A, ALA31B, ALA34A, ALA34B, ALA64A, ALA64B, ARG48A, ARG48B, ARG83A, ARG83B, ASN115A, ASN115B, ASN78A, ASN78B, ASP119A, ASP119B, ASP47A, ASP47B, CYS62A, CYS62B, GLN120A, GLN120B, GLN40A, GLN40B, GLN45A, GLN45B, GLU49A, GLU49B, GLY110A, GLY110B, GLY117A, GLY117B, GLY32A, GLY32B, GLY43A, GLY43B, GLY46A, GLY46B, GLY80A, GLY80B, ILE116A, ILE116B, ILE18A, ILE18B, ILE26A, ILE26B, ILE28A, ILE28B, LEU81A, LEU81B, LYS118A, LYS118B, LYS3A, LYS3B, LYS41A, LYS41B, PHE112A, PHE112B, PHE61A, PHE61B, PHE82A, PHE82B, PRO44A, PRO44B, SER111B, SER113A, SER113B, SER121A, SER121B, SER35A, SER35B, THR27A, THR27B, THR39A, THR39B, THR79A, THR79B, TRP2A, TRP2B, TRP33A, TRP33B, TRP42A, TRP42B, VAL114A, VAL114B, VAL25A, VAL25B, VAL29A, VAL29B, VAL77A, VAL77B
• A-C: ARG83A, ARG83C, ASP119A, ASP119C, GLN120A, GLN120C, GLY117A, LYS118A, LYS118C, PHE82A, PHE82C, SER121A, SER121C, THR27A, THR27C, VAL25A, VAL25C
• A-D: ALA1A, ALA1D, ARG83A, ARG83D, ASN21A, ASN21D, ASP119A, ASP119D, ASP24A, ASP24D, GLN120A, GLN120D, GLN91D, GLY117A, GLY117D, GLY23A, GLY23D, ILE116A, ILE116D, ILE18A, ILE18D, ILE19A, ILE19D, ILE26A, ILE26D, LYS118A, LYS118D, PRO22A, PRO22D, SER121A, SER121D, SER17A, THR27A, THR27D, TRP2A, TRP2D, TYR20A, TYR20D, VAL25A, VAL25D
• B-C: ALA1B, ALA1C, ARG83B, ARG83C, ASN21B, ASN21C, ASP119B, ASP119C, ASP24B, ASP24C, GLN120B, GLN120C, GLN91B, GLN91C, GLY117B, GLY117C, GLY23B, GLY23C, ILE116B, ILE116C, ILE18B, ILE18C, ILE19B, ILE19C, ILE26B, ILE26C, LYS118B, LYS118C, PRO22B, PRO22C, SER121B, SER121C, SER17C, THR27B, THR27C, TRP2B, TRP2C, TYR20B, TYR20C, VAL25B, VAL25C
• B-D: ARG83B, ARG83D, ASP119B, ASP119D, GLN120B, GLN120D, GLY117B, GLY117D, ILE26D, LYS118B, LYS118D, PHE82B, PHE82D, SER121B, SER121D, THR27B, THR27D, VAL25B, VAL25D
• C-D: ALA1C, ALA1D, ALA30C, ALA30D, ALA31C, ALA31D, ALA34C, ALA34D, ALA60C, ALA64C, ALA64D, ARG48C, ARG48D, ARG83C, ARG83D, ASN115C, ASN115D, ASN78C, ASN78D, ASP119C, ASP119D, ASP47C, ASP47D, CYS62C, CYS62D, GLN120C, GLN120D, GLN40C, GLN40D, GLN45C, GLN45D, GLU49C, GLU49D, GLY110C, GLY117C, GLY117D, GLY32C, GLY32D, GLY43C, GLY43D, GLY46C, GLY46D, GLY80C, GLY80D, ILE116C, ILE116D, ILE18C, ILE18D, ILE26C, ILE26D, ILE28C, ILE28D, LEU81C, LEU81D, LYS118C, LYS118D, LYS3C, LYS3D, LYS41C, LYS41D, PHE112C, PHE112D, PHE61C, PHE61D, PHE82C, PHE82D, PRO38C, PRO38D, PRO44C, PRO44D, SER109D, SER113C, SER113D, SER121C, SER121D, SER35C, SER35D, THR27C, THR27D, THR39C, THR39D, THR79C, THR79D, TRP2C, TRP2D, TRP33C, TRP33D, TRP42C, TRP42D, TRP84C, TRP84D, VAL114C, VAL114D, VAL25C, VAL25D, VAL29C, VAL29D, VAL77C, VAL77D