3NDN

crystal structure of o-succinylhomoserine sulfhydrylase from mycobacterium tuberculosis covalently bound to pyridoxal-5-phosphate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 153
  • Norm. En. per Res.: -4.9169
• 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	-150.3086	-174.6716	-427.299	-752.2793	153	15	9	18372	20	54	69
A-C	-90.3904	-32.4739	-291.279	-414.1433	86	12	11	10696	2	14	7
A-D	-113.692	-104.45	-703.026	-921.168	255	17	23	28037	6	32	26
B-C	-136.1691	-107.3802	-734.223	-977.7723	263	18	24	29202	5	31	26
B-D	-94.0973	-31.9474	-295.49	-421.5348	86	16	11	10724	2	14	8
C-D	-116.7057	-159.4411	-399.292	-675.4388	151	12	8	17462	20	54	66

Interface residues

• A-B: ALA12A, ALA12B, ALA20A, ALA20B, ALA270A, ALA270B, ALA355A, ALA355B, ALA37A, ALA37B, ALA399A, ALA399B, ARG226A, ARG226B, ARG25A, ARG25B, ARG272A, ARG272B, ARG30A, ARG30B, ARG344A, ARG344B, ARG403A, ARG403B, ARG81A, ARG81B, ASN258A, ASN258B, ASN350A, ASN350B, ASN351A, ASN351B, ASP15A, ASP15B, ASP222A, ASP222B, ASP347A, ASP347B, ASP354A, ASP354B, ASP393A, ASP393B, ASP395A, ASP395B, ASP396A, ASP396B, ASP400A, ASP400B, GLN19A, GLN19B, GLN224A, GLN224B, GLN274A, GLN274B, GLU267A, GLU267B, GLU34A, GLU34B, GLU35A, GLU35B, GLU38A, GLU38B, GLU392A, GLU392B, GLY16A, GLY16B, GLY223A, GLY223B, GLY225A, GLY225B, GLY23A, GLY23B, GLY265A, GLY265B, GLY26A, GLY26B, GLY390A, GLY390B, HIS275A, HIS275B, ILE271A, ILE271B, ILE346A, ILE346B, ILE348A, ILE348B, LEU13A, LEU13B, LEU263A, LEU263B, LEU266A, LEU266B, LEU269A, LEU269B, LEU345A, LEU345B, LEU358A, LEU358B, LEU391A, LEU391B, LEU397A, LEU397B, LEU42A, LEU42B, LYS11B, LYS264A, LYS264B, LYS356A, LYS356B, MET28A, MET28B, MET343A, MET343B, MET40A, MET40B, PHE257A, PHE257B, PRO14A, PRO14B, SER18A, SER18B, SER276A, SER276B, SER349A, SER349B, SER357A, SER357B, THR21A, THR21B, THR268A, THR268B, THR36A, THR36B, THR394A, THR394B, TRP260A, TRP260B, VAL17A, VAL17B, VAL227A, VAL227B, VAL22A, VAL22B, VAL24A, VAL24B, VAL261A, VAL261B, VAL273A, VAL273B, VAL359A, VAL359B, VAL77A, VAL77B
• A-C: ALA37A, ALA37C, ALA39A, ALA39C, ARG25A, ARG25C, ARG30A, ARG30C, ARG8A, ARG8C, ASN72A, ASN72C, ASP63A, ASP63C, GLU34A, GLU34C, GLU35A, GLU35C, GLU38A, GLU38C, GLY32A, GLY32C, GLY45A, GLY45C, GLY49A, GLY49C, HIS64A, HIS64C, LEU29A, LEU29C, LEU42A, LEU42C, LYS264A, LYS264C, MET28A, MET28C, MET40A, MET40C, PHE257A, PHE257C, PHE33A, PHE33C, PRO10A, PRO10C, PRO73A, PRO73C, SER31A, SER31C, SER44A, SER44C, SER50A, SER50C, SER57C, SER68C, SER6A, SER6C, SER76A, SER76C, THR36A, THR36C, THR43A, THR43C, THR74A, THR74C, THR9A, THR9C, TRP260A, TRP260C, TYR41A, TYR41C, TYR46A, TYR46C, TYR48A, TYR48C, TYR65A, TYR65C, TYR67A, VAL47A, VAL47C, VAL53A, VAL53C, VAL66A, VAL77A, VAL77C, VAL7A, VAL7C
• A-D: ALA100A, ALA100D, ALA107A, ALA107D, ALA111A, ALA111D, ALA253A, ALA253D, ALA256A, ALA256D, ALA336A, ALA336D, ALA363A, ALA363D, ALA369A, ALA369D, ALA51A, ALA51D, ALA52A, ALA52D, ALA54A, ALA54D, ALA59A, ALA59D, ALA95A, ALA95D, ALA99A, ALA99D, ARG135A, ARG135D, ARG226A, ARG226D, ARG248A, ARG248D, ARG344A, ARG344D, ARG368A, ARG368D, ARG386A, ARG386D, ARG69A, ARG69D, ASN258A, ASN258D, ASN350A, ASN350D, ASN351A, ASN351D, ASN72A, ASN72D, ASP113A, ASP113D, ASP222A, ASP222D, ASP341A, ASP341D, ASP347A, ASP347D, ASP354A, ASP354D, CYS125A, CYS125D, CYS129A, CYS129D, GLN160A, GLN160D, GLN224A, GLN224D, GLN244A, GLN244D, GLU131A, GLU131D, GLU338A, GLU338D, GLU55A, GLU55D, GLU61D, GLY106A, GLY106D, GLY110A, GLY110D, GLY112A, GLY112D, GLY123A, GLY123D, GLY137A, GLY137D, GLY225A, GLY225D, GLY229A, GLY229D, GLY251A, GLY251D, GLY45A, GLY45D, GLY49A, GLY49D, GLY60D, GLY71A, GLY71D, GLY97A, GLY97D, HIS249A, HIS249D, HIS361A, HIS361D, HIS367A, HIS367D, HIS64A, HIS64D, ILE132A, ILE132D, ILE346A, ILE346D, ILE348A, ILE348D, LEU105A, LEU105D, LEU108A, LEU108D, LEU109A, LEU109D, LEU133A, LEU133D, LEU228A, LEU228D, LEU246A, LEU246D, LEU340A, LEU340D, LEU352A, LEU352D, LEU358A, LEU358D, LEU42A, LEU42D, LYS245A, LYS245D, LYS333A, LYS333D, LYS342A, LYS342D, LYS356A, LYS356D, LYS56A, LYS56D, MET247A, MET247D, MET254A, MET254D, MET40A, MET40D, MET98A, MET98D, PHE102A, PHE102D, PHE122A, PHE122D, PHE126A, PHE126D, PHE257A, PHE257D, PHE337A, PHE337D, PHE58A, PHE58D, PRO134A, PRO134D, PRO242A, PRO242D, PRO252A, PRO252D, SER104A, SER124A, SER124D, SER130A, SER130D, SER216A, SER216D, SER255A, SER255D, SER349A, SER349D, SER357A, SER357D, SER44A, SER44D, SER50A, SER50D, SER57A, SER57D, SER68A, SER68D, SER96A, SER96D, THR103A, THR103D, THR218A, THR218D, THR250A, THR250D, THR360A, THR360D, THR364A, THR364D, THR365A, THR365D, THR366A, THR366D, THR43A, THR43D, THR94A, THR94D, TRP136A, TRP136D, TRP260A, TRP260D, TYR238A, TYR238D, TYR41A, TYR41D, TYR46A, TYR46D, TYR48A, TYR48D, TYR67A, TYR67D, TYR70A, TYR70D, VAL101A, VAL101D, VAL127A, VAL127D, VAL128A, VAL128D, VAL138A, VAL138D, VAL196A, VAL196D, VAL227A, VAL227D, VAL261A, VAL261D, VAL339A, VAL339D, VAL359A, VAL359D, VAL47A, VAL47D, VAL53A, VAL53D, VAL66A, VAL66D, VAL75A, VAL75D
• B-C: ALA100B, ALA100C, ALA107B, ALA107C, ALA111B, ALA111C, ALA253B, ALA253C, ALA256B, ALA256C, ALA259B, ALA259C, ALA336B, ALA336C, ALA363B, ALA363C, ALA369B, ALA369C, ALA51B, ALA51C, ALA52B, ALA52C, ALA54B, ALA54C, ALA59B, ALA59C, ALA95B, ALA95C, ALA99B, ALA99C, ARG135B, ARG135C, ARG226B, ARG226C, ARG248B, ARG248C, ARG344C, ARG368B, ARG368C, ARG386C, ARG69B, ARG69C, ASN258B, ASN258C, ASN350B, ASN350C, ASN351B, ASN351C, ASN72B, ASN72C, ASP113B, ASP113C, ASP222B, ASP222C, ASP341B, ASP341C, ASP347B, ASP347C, ASP354B, ASP354C, CYS125B, CYS125C, CYS129B, CYS129C, GLN160B, GLN160C, GLN224B, GLN224C, GLN244B, GLN244C, GLN334B, GLN334C, GLU131B, GLU131C, GLU338B, GLU338C, GLU55B, GLU55C, GLU61B, GLU61C, GLY106B, GLY106C, GLY110B, GLY110C, GLY112B, GLY112C, GLY123B, GLY123C, GLY137B, GLY137C, GLY217B, GLY217C, GLY223B, GLY223C, GLY225B, GLY225C, GLY229B, GLY229C, GLY251B, GLY251C, GLY45B, GLY45C, GLY49B, GLY49C, GLY60B, GLY60C, GLY71B, GLY71C, GLY97B, GLY97C, HIS249B, HIS249C, HIS361B, HIS361C, HIS367B, HIS367C, HIS64B, HIS64C, ILE132B, ILE132C, ILE346B, ILE346C, ILE348B, ILE348C, LEU105B, LEU105C, LEU108B, LEU108C, LEU109B, LEU109C, LEU133B, LEU133C, LEU228B, LEU228C, LEU246B, LEU246C, LEU340B, LEU340C, LEU352B, LEU352C, LEU358B, LEU358C, LEU42B, LEU42C, LYS245B, LYS245C, LYS333B, LYS333C, LYS342B, LYS342C, LYS356B, LYS356C, LYS56B, LYS56C, MET247B, MET247C, MET254B, MET254C, MET40B, MET40C, MET98B, MET98C, PHE102B, PHE102C, PHE122B, PHE122C, PHE126B, PHE126C, PHE257B, PHE257C, PHE337B, PHE337C, PHE58B, PHE58C, PRO134B, PRO134C, PRO242B, PRO242C, PRO252B, PRO252C, SER104B, SER104C, SER124B, SER124C, SER130C, SER216B, SER216C, SER255B, SER255C, SER349B, SER349C, SER357B, SER357C, SER44B, SER44C, SER50B, SER50C, SER57B, SER57C, SER68B, SER68C, SER96B, SER96C, THR103B, THR103C, THR218B, THR218C, THR250B, THR250C, THR360B, THR360C, THR364B, THR364C, THR365B, THR365C, THR366B, THR366C, THR43B, THR43C, THR94B, THR94C, TRP136B, TRP136C, TRP260B, TRP260C, TYR238B, TYR238C, TYR41B, TYR41C, TYR46B, TYR46C, TYR48B, TYR48C, TYR65B, TYR65C, TYR67B, TYR67C, TYR70B, TYR70C, VAL101B, VAL101C, VAL127B, VAL127C, VAL128B, VAL128C, VAL138B, VAL138C, VAL227B, VAL227C, VAL261B, VAL261C, VAL339B, VAL339C, VAL359B, VAL359C, VAL47B, VAL47C, VAL53B, VAL53C, VAL66B, VAL66C, VAL75B, VAL75C
• B-D: ALA37B, ALA37D, ALA39B, ALA39D, ARG25B, ARG25D, ARG30B, ARG30D, ARG8B, ARG8D, ASN72B, ASN72D, ASP63B, ASP63D, GLU34B, GLU34D, GLU35B, GLU35D, GLU38B, GLU38D, GLY32B, GLY32D, GLY45B, GLY45D, GLY49B, GLY49D, HIS64B, HIS64D, LEU29B, LEU29D, LEU42B, LEU42D, LYS11B, LYS11D, LYS264B, LYS264D, MET28B, MET28D, MET40B, MET40D, PHE257B, PHE257D, PHE33B, PHE33D, PRO10B, PRO10D, PRO73B, PRO73D, SER31B, SER31D, SER44B, SER44D, SER50B, SER50D, SER57D, SER68B, SER6B, SER6D, SER76B, SER76D, THR36B, THR36D, THR43B, THR43D, THR74B, THR74D, THR9B, THR9D, TRP260B, TRP260D, TYR41B, TYR41D, TYR46B, TYR46D, TYR48B, TYR48D, TYR65B, TYR65D, VAL47B, VAL47D, VAL53B, VAL53D, VAL77B, VAL77D, VAL7B, VAL7D
• C-D: ALA12C, ALA12D, ALA20C, ALA20D, ALA270C, ALA270D, ALA355C, ALA355D, ALA37C, ALA37D, ALA399C, ALA399D, ARG226C, ARG226D, ARG25C, ARG25D, ARG272C, ARG272D, ARG30C, ARG30D, ARG344C, ARG344D, ARG403C, ARG403D, ARG81C, ARG81D, ASN258C, ASN258D, ASN350C, ASN350D, ASN351C, ASN351D, ASP15C, ASP15D, ASP222C, ASP222D, ASP347C, ASP347D, ASP354C, ASP354D, ASP393C, ASP393D, ASP395C, ASP395D, ASP396C, ASP396D, ASP400C, ASP400D, GLN19C, GLN19D, GLN224C, GLN224D, GLN274C, GLN274D, GLU267C, GLU267D, GLU34C, GLU34D, GLU35C, GLU35D, GLU38C, GLU38D, GLU392C, GLU392D, GLY16C, GLY16D, GLY223C, GLY223D, GLY225C, GLY225D, GLY23C, GLY23D, GLY265C, GLY265D, GLY26C, GLY26D, GLY390C, GLY390D, HIS275C, HIS275D, ILE271C, ILE271D, ILE346C, ILE346D, ILE348C, ILE348D, LEU13C, LEU13D, LEU263C, LEU263D, LEU266C, LEU266D, LEU269C, LEU269D, LEU345C, LEU345D, LEU358C, LEU358D, LEU391C, LEU391D, LEU397C, LEU397D, LYS11D, LYS264C, LYS264D, LYS356C, LYS356D, MET28C, MET28D, MET343C, MET343D, MET40C, MET40D, PHE257C, PHE257D, PRO14C, PRO14D, SER18C, SER18D, SER276C, SER276D, SER349C, SER349D, SER357C, SER357D, THR21C, THR21D, THR268C, THR268D, THR36C, THR36D, THR394C, THR394D, TRP260C, TRP260D, VAL17C, VAL17D, VAL227C, VAL227D, VAL22C, VAL22D, VAL24C, VAL24D, VAL261C, VAL261D, VAL273C, VAL273D, VAL359C, VAL359D, VAL77C, VAL77D