3QUJ

crystal structure of the phosphonate binding protein, phnd, from escherichia coli

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 149
  • Norm. En. per Res.: -2.3282
• 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	-16.4603	29.3823	-359.825	-346.903	149	6	11	14729	5	34	34
A-C	-8.3059	22.1812	-71.2912	-57.4159	78	7	0	3978	0	19	21
A-D	-11.2632	3.0257	-71.6601	-79.8976	54	0	1	3521	0	14	20
B-C	0.0	0.0	-22.6988	-22.6988	40	2	0	1546	0	3	3
B-D	0.0	0.0	-0.0137	-0.0137	4	0	0	7	0	0	0
C-D	-22.2293	22.3593	-228.764	-228.634	114	17	7	10132	1	24	30

Interface residues

• A-B: ALA248A, ALA248B, ALA261A, ALA261B, ALA286A, ALA286B, ALA289A, ALA289B, ALA300A, ALA300B, ALA303A, ALA303B, ALA310A, ALA310B, ALA82A, ALA82B, ARG247A, ARG247B, ARG258A, ARG258B, ARG296A, ARG296B, ASN298A, ASN298B, ASN299A, ASN299B, ASP219A, ASP219B, ASP223A, ASP223B, ASP251A, ASP251B, ASP292A, ASP292B, ASP293A, ASP293B, ASP295A, ASP295B, GLN253A, GLN253B, GLN259A, GLN259B, GLN267A, GLN267B, GLN288A, GLN288B, GLN290A, GLN290B, GLN312A, GLN312B, GLN79A, GLN79B, GLN83A, GLN83B, GLU215A, GLU215B, GLY204A, GLY92A, ILE202A, ILE221A, ILE221B, ILE257A, ILE257B, ILE287A, LEU201A, LEU201B, LEU213A, LEU213B, LEU252A, LEU252B, LEU254A, LEU254B, LEU260A, LEU260B, LEU262B, LEU291A, LEU291B, LEU294A, LEU294B, LEU297A, LEU297B, LEU301A, LEU301B, LYS141A, LYS141B, LYS211A, LYS211B, LYS218A, LYS218B, LYS220A, LYS220B, LYS264B, LYS270A, LYS309A, LYS309B, PHE246A, PHE246B, PHE263A, PHE263B, PHE81A, PHE81B, PRO200A, PRO200B, PRO203A, PRO203B, PRO256A, PRO256B, PRO91A, PRO91B, SER199A, SER214A, SER214B, SER249A, SER249B, SER250A, SER250B, SER302A, SER302B, SER305A, SER305B, SER306A, SER306B, SER308A, SER308B, THR216A, THR216B, THR217A, THR217B, THR285A, THR285B, TRP209A, TRP209B, TYR136A, TYR136B, TYR137A, TYR137B, TYR222A, TYR222B, VAL133B, VAL255A, VAL255B, VAL307A, VAL307B, VAL311A, VAL311B, VAL80A, VAL80B, VAL85A, VAL85B
• A-C: ALA236A, ALA244A, ALA248A, ALA261C, ALA286C, ALA289C, ALA310A, ALA48C, ALA86A, ALA87A, ARG210C, ARG240A, ARG247A, ARG258C, ARG55C, ARG75C, ASN212C, ASN227A, ASN57C, ASN77C, ASP180A, ASP293C, ASP60C, ASP74C, ASP88A, GLN288C, GLN290C, GLN312A, GLN52C, GLU215C, GLU239A, GLU265C, GLU71C, GLY229A, GLY242A, GLY89A, ILE287C, LEU132C, LEU190A, LEU213C, LEU238A, LEU262C, LEU291C, LEU294C, LEU67C, LYS181A, LYS183A, LYS211C, LYS230A, LYS235A, LYS264C, LYS309A, LYS58C, LYS5C, PHE131C, PHE225A, PHE246A, PHE56C, PRO125C, PRO187A, PRO232A, PRO245A, SER145C, SER214C, SER302A, SER305A, SER306A, SER308A, SER90A, THR184A, THR284C, THR285C, TRP243A, TYR222A, TYR228A, VAL307A, VAL311A, VAL85A
• A-D: ALA289D, ARG210D, ARG55D, ASN100A, ASN106A, ASN107A, ASN109A, ASN142A, ASN212D, ASN57D, ASN77D, ASN8D, ASP102A, ASP110A, ASP180A, GLN52D, GLU215D, GLY53D, GLY78D, ILE105A, ILE196A, ILE98A, LEU108A, LEU111A, LEU112A, LEU190A, LEU193A, LEU213D, LEU97A, LYS101A, LYS141A, LYS183A, LYS191A, LYS194A, LYS198A, LYS211D, LYS218D, LYS58D, LYS5D, PHE56D, PRO104A, SER103A, SER199A, SER214D, SER302A, THR176A, THR216D, TRP197A, TRP94A, TYR137A, VAL195A, VAL59D, VAL96A, VAL99A
• B-C: ALA300B, ALA303B, ALA6C, ALA76C, ARG210C, ARG247B, ARG55C, ARG75C, ASN212C, ASN298B, ASN299B, ASN57C, ASN77C, ASP295B, ASP74C, ASP88B, GLN79C, GLY89B, GLY92B, ILE202B, LEU201B, LEU301B, LYS198B, LYS211C, LYS220C, LYS5C, PHE56C, PRO200B, PRO91B, SER199B, SER214C, SER302B, SER305B, SER306B, SER90B, THR216C, THR217C, TRP94B, TYR93B, VAL73C
• B-D: ASP293D, GLN290D, LYS309B, SER306B
• C-D: ALA248C, ALA248D, ALA289C, ALA289D, ALA300C, ALA300D, ALA303C, ALA303D, ALA310D, ALA82C, ALA82D, ARG247C, ARG247D, ARG296C, ARG296D, ASN298C, ASN298D, ASN299C, ASN299D, ASN66C, ASP219C, ASP219D, ASP223C, ASP223D, ASP251C, ASP251D, ASP292C, ASP292D, ASP293C, ASP293D, ASP295C, ASP295D, GLN253C, GLN253D, GLN259C, GLN267C, GLN288C, GLN288D, GLN290D, GLN312D, GLN79C, GLN79D, GLN83C, GLN83D, GLU215C, GLU215D, GLY204C, GLY92C, ILE202C, ILE221C, ILE221D, ILE257C, LEU201C, LEU252C, LEU252D, LEU260C, LEU262C, LEU291C, LEU294C, LEU297C, LEU297D, LEU301C, LEU301D, LYS141C, LYS198C, LYS211C, LYS211D, LYS218C, LYS218D, LYS220C, LYS220D, LYS264C, LYS309D, PHE246C, PHE246D, PHE263C, PHE81C, PHE81D, PRO200C, PRO203C, PRO256C, PRO91C, SER199C, SER214C, SER214D, SER249C, SER249D, SER250C, SER250D, SER302C, SER302D, SER305D, SER306D, SER308D, THR216C, THR216D, THR217C, THR217D, THR84C, TRP209C, TRP209D, TRP94C, TYR136C, TYR137C, TYR222C, TYR222D, TYR93C, VAL255C, VAL255D, VAL307D, VAL311D, VAL80C, VAL80D, VAL85C