3IJ5

1.95 angstrom resolution crystal structure of 3-deoxy-d-manno- octulosonate 8-phosphate phosphatase from yersinia pestis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 100
  • Norm. En. per Res.: -5.1593
• 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	-101.4902	-112.7375	-299.236	-513.4637	108	10	9	11691	7	40	35
A-C	0.0	0.0	-0.7757	-0.7757	8	0	0	132	0	0	4
A-D	-104.2889	-97.5301	-261.434	-463.2529	105	11	7	10026	6	40	36
B-C	-110.9033	-123.2421	-281.783	-515.9284	100	13	8	10720	8	39	35
B-D	0.0	0.0	-0.2945	-0.2945	8	0	0	66	0	0	4
C-D	-105.6425	-86.6058	-251.9	-444.1484	101	10	7	9547	6	39	36

Interface residues

• A-B: ALA140A, ALA142A, ALA144A, ALA182B, ALA52B, ALA79B, ALA86B, ARG157B, ARG162A, ARG162B, ARG166B, ARG56B, ARG77A, ARG77B, ARG78A, ARG78B, ARG85B, ASN45A, ASN54B, ASN87B, ASP100A, ASP124A, ASP125A, ASP128A, ASP143A, ASP170B, ASP31A, ASP33A, ASP38A, ASP38B, ASP57B, ASP84B, CYS10B, CYS169B, CYS63B, GLN46A, GLN98A, GLU167B, GLU180B, GLU48A, GLU48B, GLU49A, GLU49B, GLU83B, GLY123A, GLY12B, GLY160A, GLY160B, GLY161B, GLY163B, GLY184B, GLY34A, GLY39A, GLY44A, GLY47A, GLY47B, GLY58B, GLY60B, GLY76A, GLY97A, HIS145A, ILE127A, ILE158B, ILE187B, ILE41A, ILE41B, LEU126A, LEU147A, LEU148A, LEU149A, LEU171B, LEU174B, LEU179B, LEU185B, LEU40A, LEU40B, LEU50A, LEU50B, LEU81B, LEU82B, LEU89B, LYS101A, LYS159A, LYS51A, LYS51B, LYS80B, MET36B, MET43A, MET43B, PHE53B, PRO146A, PRO150A, SER186B, SER37A, SER37B, SER99A, THR183B, THR75A, THR88B, THR9B, TYR11B, TYR42A, TYR42B, TYR59B, VAL141A, VAL32A, VAL35A, VAL55B
• A-C: ALA52A, ALA52C, GLU48A, GLU48C, LEU50A, LEU50C, TYR42A, TYR42C
• A-D: ALA140D, ALA142D, ALA144D, ALA182A, ALA52A, ALA79A, ALA86A, ARG157A, ARG162A, ARG162D, ARG166A, ARG56A, ARG77A, ARG77D, ARG78A, ARG85A, ASN45D, ASN54A, ASN87A, ASP100D, ASP124D, ASP125D, ASP128D, ASP143D, ASP170A, ASP31D, ASP33D, ASP38A, ASP38D, ASP57A, ASP84A, CYS10A, CYS169A, CYS63A, GLN46A, GLN46D, GLN98D, GLU167A, GLU180A, GLU48A, GLU48D, GLU49A, GLU49D, GLU83A, GLY123D, GLY12A, GLY160A, GLY160D, GLY161A, GLY161D, GLY163A, GLY184A, GLY34D, GLY39D, GLY44D, GLY47A, GLY47D, GLY58A, GLY60A, GLY76D, GLY97D, HIS145D, ILE127D, ILE158A, ILE41A, ILE41D, LEU126D, LEU147D, LEU148D, LEU149D, LEU171A, LEU174A, LEU179A, LEU185A, LEU40A, LEU40D, LEU50A, LEU50D, LEU81A, LEU82A, LEU89A, LYS159D, LYS51A, LYS51D, LYS80A, MET36A, MET43A, MET43D, PHE53A, PRO146D, PRO150D, SER186A, SER37A, SER37D, SER99D, THR183A, THR88A, THR9A, TYR11A, TYR42A, TYR42D, TYR59A, VAL141D, VAL35D, VAL55A
• B-C: ALA140B, ALA142B, ALA144B, ALA182C, ALA52C, ALA79C, ALA86C, ARG157C, ARG162B, ARG162C, ARG166C, ARG56C, ARG62C, ARG77B, ARG77C, ARG78C, ARG85C, ASN45B, ASN54C, ASN87C, ASP124B, ASP125B, ASP143B, ASP170C, ASP31B, ASP33B, ASP38B, ASP38C, ASP57C, ASP84C, CYS10C, CYS169C, CYS63C, GLN46B, GLN46C, GLU167C, GLU180C, GLU48B, GLU48C, GLU49B, GLU49C, GLU83C, GLY123B, GLY12C, GLY160B, GLY160C, GLY161B, GLY161C, GLY163C, GLY34B, GLY39B, GLY44B, GLY47B, GLY47C, GLY58C, GLY60C, GLY76B, HIS145B, ILE127B, ILE158C, ILE41B, LEU126B, LEU147B, LEU148B, LEU149B, LEU171C, LEU174C, LEU179C, LEU40B, LEU40C, LEU50B, LEU50C, LEU81C, LEU82C, LEU89C, LYS151B, LYS159B, LYS159C, LYS51B, LYS51C, LYS80C, MET36C, MET43B, MET43C, PHE53C, PRO146B, PRO150B, SER37B, SER37C, THR75B, THR88C, THR9C, TYR11C, TYR42B, TYR42C, TYR59C, VAL141B, VAL32B, VAL35B, VAL55C
• B-D: ALA52B, ALA52D, GLU48B, GLU48D, LEU50B, LEU50D, TYR42B, TYR42D
• C-D: ALA144C, ALA182D, ALA52D, ALA79D, ALA86D, ARG157D, ARG162C, ARG162D, ARG166D, ARG56D, ARG77C, ARG77D, ARG78D, ARG85D, ASN45C, ASN54D, ASN87D, ASP124C, ASP125C, ASP128C, ASP143C, ASP170D, ASP31C, ASP33C, ASP38C, ASP38D, ASP57D, ASP84D, CYS10D, CYS169D, CYS63D, GLN46C, GLN46D, GLU167D, GLU180D, GLU48C, GLU48D, GLU49C, GLU49D, GLU83D, GLY123C, GLY12D, GLY160C, GLY160D, GLY161C, GLY161D, GLY163D, GLY181D, GLY184D, GLY34C, GLY39C, GLY44C, GLY47C, GLY47D, GLY58D, GLY60D, GLY76C, HIS145C, ILE127C, ILE158D, ILE41C, ILE41D, LEU126C, LEU147C, LEU148C, LEU149C, LEU171D, LEU174D, LEU179D, LEU40C, LEU40D, LEU50C, LEU50D, LEU81D, LEU82D, LEU89D, LYS101C, LYS159C, LYS51C, LYS51D, LYS80D, MET36D, MET43C, MET43D, PHE53D, PRO146C, PRO150C, SER37C, SER37D, THR183D, THR75C, THR88D, THR9D, TYR11D, TYR42C, TYR42D, TYR59D, VAL141C, VAL32C, VAL35C, VAL55D