1TD9

crystal structure of a phosphotransacetylase from bacillus subtilis

• Total interactions analyzed: 15
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 138
  • Norm. En. per Res.: -3.7978
• Hub Node: B(4)

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	-47.351	-75.3904	-401.358	-524.0995	138	24	20	17691	9	17	41
A-C	0.0	4.7856	-12.7134	-7.9278	35	1	0	715	0	12	17
A-D	-22.3526	-12.6618	-116.736	-151.7504	82	12	1	5148	3	26	24
B-C	-17.033	-13.8055	-131.624	-162.4625	79	8	1	5063	2	26	24
B-D	0.0	43.9836	-35.6259	8.3577	49	4	0	1943	0	14	21
B-E	0.0	0.0	-0.0881	-0.0881	3	0	0	27	0	1	0
B-F	-12.5986	-69.4807	-43.7716	-125.8508	43	3	0	2745	7	28	27
C-D	-43.1496	-74.7598	-404.498	-522.4074	139	21	20	17912	9	19	41
C-F	0.0	0.0	-0.0089	-0.0089	2	0	0	8	0	1	0
E-F	-22.9483	-12.4568	-138.947	-174.352	83	9	1	5174	1	26	25

Interface residues

• A-B: ALA130A, ALA168A, ALA168B, ALA172A, ALA172B, ALA209A, ALA209B, ALA241A, ALA241B, ALA242A, ALA242B, ALA248B, ALA271A, ALA271B, ALA279A, ALA279B, ARG157A, ARG157B, ARG281A, ARG281B, ARG28A, ARG304A, ARG304B, ASN170A, ASN170B, ASN273A, ASN273B, ASN284A, ASN284B, ASP212A, ASP212B, ASP240A, ASP240B, CYS167A, CYS167B, CYS306A, GLN238A, GLN238B, GLN280A, GLN280B, GLU160A, GLU160B, GLU213A, GLU213B, GLU270A, GLU270B, GLY272A, GLY272B, GLY275A, GLY275B, GLY283A, GLY283B, GLY305A, GLY305B, ILE171A, ILE171B, ILE274A, ILE274B, ILE278A, ILE278B, LEU178A, LEU178B, LEU201A, LEU201B, LEU269A, LEU269B, LEU282A, LEU282B, LYS210A, LYS210B, LYS216A, LYS216B, LYS250A, LYS250B, LYS251A, LYS251B, LYS277A, LYS277B, MET155A, MET155B, MET200A, MET200B, PHE153A, PHE153B, PHE164A, PHE164B, PHE203A, PHE203B, PHE237A, PHE237B, PHE239A, PHE239B, PHE243A, PHE243B, PHE264A, PHE264B, PHE266A, PHE266B, PHE285A, PHE285B, PRO173A, PRO173B, PRO245B, PRO267A, PRO267B, SER128A, SER128B, SER202A, SER202B, SER204A, SER204B, SER208A, SER208B, SER211A, SER211B, SER246A, SER246B, SER268A, SER268B, SER303A, SER303B, THR129A, THR205A, THR205B, THR214A, THR214B, TYR162A, TYR162B, TYR276A, TYR276B, VAL217A, VAL217B, VAL244A, VAL244B, VAL247A, VAL247B, VAL265A, VAL265B
• A-C: ALA2C, ARG157A, ARG157C, ASN284A, ASN284C, ASP260A, ASP260C, ASP3A, ASP3C, GLU159A, GLU159C, GLU160A, GLU160C, GLY158A, GLY158C, GLY259A, GLY259C, GLY283A, GLY283C, LEU282A, LEU282C, LYS258A, LYS258C, MET1C, PHE243A, PHE243C, PHE285A, PHE285C, PRO245A, PRO245C, SER246A, SER246C, VAL244A, VAL244C, VAL247A
• A-D: ALA156D, ALA2A, ALA2D, ALA308A, ALA308D, ALA32A, ALA37A, ALA37D, ALA57A, ALA57D, ARG157A, ARG157D, ARG281A, ARG281D, ARG28A, ARG28D, ASN284A, ASN284D, ASN307A, ASN307D, ASN39A, ASN39D, ASN61A, ASN61D, ASP3D, GLN280A, GLN280D, GLU159A, GLU159D, GLU160A, GLU160D, GLU27A, GLU27D, GLU286A, GLU286D, GLU309A, GLU309D, GLU31A, GLU31D, GLU59A, GLU59D, GLY-1D, GLY0D, GLY158A, GLY158D, GLY283A, GLY283D, GLY38A, GLY38D, GLY65A, GLY65D, GLY66A, GLY66D, LEU282A, LEU282D, LEU30A, LEU36A, LEU36D, LEU60A, LEU60D, LEU62A, LEU62D, LEU64A, LEU64D, LYS35A, LYS35D, LYS40A, LYS40D, LYS58A, LYS58D, PHE285A, PHE285D, PRO44A, PRO44D, SER34A, SER34D, THR63A, THR63D, VAL33A, VAL33D, VAL67A, VAL67D
• B-C: ALA156B, ALA2B, ALA2C, ALA308B, ALA308C, ALA37B, ALA37C, ALA57B, ALA57C, ARG157B, ARG157C, ARG281B, ARG281C, ARG28B, ARG28C, ASN284B, ASN284C, ASN307B, ASN307C, ASN39B, ASN39C, ASN61B, ASN61C, ASP3B, GLU159B, GLU160B, GLU160C, GLU27B, GLU27C, GLU286B, GLU286C, GLU309B, GLU309C, GLU31B, GLU31C, GLU59B, GLU59C, GLY0B, GLY158B, GLY158C, GLY283B, GLY283C, GLY38B, GLY38C, GLY65B, GLY65C, GLY66B, GLY66C, LEU282B, LEU282C, LEU30B, LEU30C, LEU36B, LEU36C, LEU60B, LEU60C, LEU62B, LEU62C, LEU64B, LEU64C, LYS35B, LYS35C, LYS40B, LYS40C, LYS58B, LYS58C, MET1B, PHE285B, PHE285C, PRO44B, PRO44C, SER34B, SER34C, THR63B, THR63C, VAL33B, VAL33C, VAL67B, VAL67C
• B-D: ALA2B, ALA2D, ARG157B, ARG157D, ASN284B, ASN284D, ASP240B, ASP260B, ASP260D, ASP3B, ASP3D, GLU159B, GLU159D, GLU160B, GLU160D, GLU249B, GLU249D, GLY-1D, GLY0B, GLY0D, GLY158B, GLY158D, GLY259B, GLY259D, GLY283B, GLY283D, LEU282B, LEU282D, LEU4B, LEU4D, LYS258B, LYS258D, MET1D, PHE243B, PHE243D, PHE285B, PHE285D, PRO245B, PRO245D, SER246B, SER246D, SER6B, SER6D, TYR162B, TYR162D, VAL244B, VAL244D, VAL247B, VAL247D
• B-E: GLN97B, LYS40E, THR94B
• B-F: ALA55B, ALA55F, ARG99B, ARG99F, ASN49B, ASN49F, ASN51B, ASN51F, ASP104B, ASP104F, ASP71B, ASP71F, GLN97B, GLN97F, GLU27B, GLU27F, GLU50B, GLU50F, GLU52B, GLU52F, GLU59B, GLU59F, GLU96B, GLU96F, HIS73B, HIS73F, ILE53B, ILE53F, LEU103B, LEU103F, LEU25B, LEU25F, LEU60B, LEU60F, LYS100B, LYS100F, LYS56B, LYS56F, LYS58B, LYS58F, PRO72B, THR74B, THR94F
• C-D: ALA130C, ALA168C, ALA168D, ALA172C, ALA172D, ALA209C, ALA209D, ALA241C, ALA241D, ALA242C, ALA242D, ALA248D, ALA271C, ALA271D, ALA279C, ALA279D, ARG157C, ARG157D, ARG281C, ARG281D, ARG28C, ARG304C, ARG304D, ASN170C, ASN170D, ASN273C, ASN273D, ASN284C, ASN284D, ASP212C, ASP212D, ASP240C, ASP240D, CYS167C, CYS167D, CYS306C, GLN238C, GLN238D, GLN280C, GLN280D, GLU160C, GLU160D, GLU213C, GLU213D, GLU236D, GLU270C, GLU270D, GLY272C, GLY272D, GLY275C, GLY275D, GLY283C, GLY283D, GLY305C, GLY305D, ILE169C, ILE171C, ILE171D, ILE274C, ILE274D, ILE278C, ILE278D, LEU178C, LEU178D, LEU201C, LEU201D, LEU269C, LEU269D, LEU282C, LEU282D, LYS210C, LYS210D, LYS216C, LYS216D, LYS250C, LYS250D, LYS251C, LYS251D, LYS277C, LYS277D, MET155C, MET155D, MET200C, MET200D, PHE153C, PHE164C, PHE164D, PHE203C, PHE203D, PHE237C, PHE237D, PHE239C, PHE239D, PHE243C, PHE243D, PHE264C, PHE264D, PHE266C, PHE266D, PHE285C, PHE285D, PRO173C, PRO173D, PRO245D, PRO267C, PRO267D, SER128C, SER128D, SER202C, SER202D, SER204C, SER204D, SER208C, SER208D, SER211C, SER211D, SER246C, SER246D, SER268C, SER268D, SER303C, SER303D, THR129C, THR205C, THR205D, THR214C, THR214D, TYR162C, TYR162D, TYR276C, TYR276D, VAL217C, VAL217D, VAL244C, VAL244D, VAL247C, VAL247D, VAL265C, VAL265D
• C-F: GLN97F, LYS40C
• E-F: ALA156F, ALA2E, ALA2F, ALA308E, ALA308F, ALA37E, ALA37F, ALA57E, ALA57F, ARG157E, ARG157F, ARG281E, ARG281F, ARG28E, ARG28F, ASN284E, ASN284F, ASN307E, ASN307F, ASN39E, ASN39F, ASN61E, ASN61F, ASP3E, ASP3F, GLN280E, GLN280F, GLU159E, GLU159F, GLU160E, GLU160F, GLU27E, GLU27F, GLU286E, GLU286F, GLU309E, GLU309F, GLU31E, GLU31F, GLU59E, GLU59F, GLY158E, GLY158F, GLY283E, GLY283F, GLY38E, GLY38F, GLY65E, GLY65F, GLY66E, GLY66F, LEU282E, LEU282F, LEU30E, LEU30F, LEU36E, LEU36F, LEU60E, LEU60F, LEU62E, LEU62F, LEU64E, LEU64F, LYS35E, LYS35F, LYS40E, LYS40F, LYS58E, LYS58F, MET1E, MET1F, PHE285E, PHE285F, PRO44E, PRO44F, SER34E, SER34F, THR63E, THR63F, VAL33E, VAL33F, VAL67E, VAL67F