3Q8N

crystal structure of 4-aminobutyrate transaminase from mycobacterium smegmatis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 377
  • Norm. En. per Res.: -4.8945
• 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	-56.1632	-11.74	-194.892	-262.7952	111	10	0	8139	2	35	38
A-C	-368.4786	-75.8555	-1400.88	-1845.214	377	49	55	55190	8	29	50
A-D	-9.4828	7.3522	-19.7686	-21.8992	27	3	0	811	0	10	9
B-C	-5.5838	4.3122	-19.8918	-21.1634	25	1	0	796	0	9	9
B-D	-357.672	-72.0638	-1408.69	-1838.4258	376	48	53	55255	8	29	50
C-D	-81.0845	-37.8931	-212.306	-331.2837	109	13	0	8365	4	33	38

Interface residues

• A-B: ALA153A, ALA153B, ALA160A, ALA160B, ALA170A, ALA170B, ALA173A, ALA173B, ALA186A, ALA186B, ALA222A, ALA222B, ALA394A, ALA394B, ARG146A, ARG146B, ARG151A, ARG151B, ARG191A, ARG191B, ARG199A, ARG199B, ASN166A, ASN166B, ASN175A, ASN175B, ASN187A, ASN187B, ASN217A, ASN217B, ASN224A, ASN224B, ASN419B, ASP158A, ASP158B, ASP200A, ASP200B, ASP214A, ASP214B, ASP223A, ASP223B, GLN152A, GLN152B, GLN176A, GLN176B, GLN219A, GLN219B, GLU188A, GLU188B, GLY181A, GLY181B, GLY183A, GLY183B, GLY221A, GLY221B, GLY415A, GLY415B, GLY418A, GLY418B, HIS159A, HIS159B, HIS180A, HIS180B, HIS211A, HIS211B, ILE216A, ILE216B, LEU215A, LEU215B, LYS174A, LYS174B, LYS179A, LYS179B, LYS218A, LYS218B, MET169A, MET169B, PHE157A, PHE157B, PHE182A, PHE182B, PHE185A, PHE185B, PRO184A, PRO184B, PRO193A, PRO193B, PRO392A, PRO392B, THR172A, THR172B, THR194A, THR194B, THR416A, THR416B, TYR178A, TYR178B, TYR190A, TYR190B, TYR417A, TYR417B, VAL156A, VAL156B, VAL189A, VAL189B, VAL192A, VAL192B, VAL220A, VAL220B, VAL225A, VAL225B
• A-C: ALA113A, ALA113C, ALA129A, ALA129C, ALA135A, ALA135C, ALA137A, ALA137C, ALA145A, ALA145C, ALA147A, ALA147C, ALA153A, ALA153C, ALA170A, ALA170C, ALA186A, ALA186C, ALA226C, ALA292A, ALA292C, ALA296A, ALA296C, ALA303A, ALA303C, ALA308A, ALA308C, ALA329A, ALA329C, ALA32A, ALA32C, ALA332A, ALA332C, ALA37A, ALA37C, ALA39A, ALA39C, ALA40A, ALA40C, ALA52A, ALA52C, ALA53A, ALA53C, ALA59A, ALA59C, ALA61A, ALA61C, ALA74A, ALA74C, ALA82A, ALA82C, ALA88A, ALA88C, ALA94A, ALA94C, ALA95A, ALA95C, ARG118A, ARG118C, ARG127A, ARG127C, ARG146A, ARG146C, ARG150A, ARG150C, ARG151A, ARG151C, ARG164A, ARG164C, ARG33A, ARG33C, ARG422A, ARG422C, ASN117A, ASN117C, ASN132A, ASN132C, ASN140A, ASN140C, ASN166A, ASN166C, ASN175A, ASN175C, ASN187A, ASN187C, ASN326A, ASN326C, ASN80A, ASN80C, ASP312A, ASP312C, ASP60A, ASP60C, ASP68A, ASP68C, ASP87A, ASP87C, CYS100A, CYS100C, GLN152A, GLN152C, GLN176A, GLN176C, GLN267A, GLN267C, GLN315A, GLN315C, GLN31A, GLN31C, GLN35A, GLN35C, GLN91A, GLN91C, GLN92A, GLN92C, GLU107A, GLU107C, GLU114A, GLU114C, GLU125A, GLU125C, GLU136A, GLU136C, GLU139A, GLU139C, GLU188A, GLU188C, GLU236A, GLU236C, GLU29A, GLU29C, GLY108A, GLY108C, GLY134A, GLY134C, GLY163A, GLY163C, GLY181A, GLY181C, GLY183A, GLY183C, GLY294A, GLY294C, GLY297A, GLY297C, GLY298A, GLY298C, GLY306A, GLY306C, GLY313A, GLY313C, GLY317A, GLY317C, GLY318A, GLY318C, GLY320A, GLY320C, GLY321A, GLY321C, GLY324A, GLY324C, GLY325A, GLY325C, GLY41A, GLY41C, GLY43A, GLY43C, GLY54A, GLY54C, GLY70A, GLY70C, GLY72A, GLY72C, GLY79A, GLY79C, HIS115A, HIS115C, HIS180A, HIS180C, HIS405A, HIS405C, HIS98A, HIS98C, ILE144A, ILE144C, ILE22C, ILE26A, ILE26C, ILE295A, ILE295C, ILE310A, ILE310C, ILE73A, ILE73C, LEU116A, LEU116C, LEU12A, LEU12C, LEU130A, LEU130C, LEU167A, LEU167C, LEU299A, LEU299C, LEU301A, LEU301C, LEU30A, LEU30C, LEU319A, LEU319C, LEU328A, LEU328C, LEU334A, LEU334C, LEU412A, LEU412C, LEU424A, LEU424C, LEU46A, LEU46C, LEU58A, LEU58C, LEU66A, LEU66C, LYS111A, LYS111C, LYS126A, LYS126C, LYS143A, LYS143C, LYS179A, LYS179C, LYS293A, LYS293C, LYS34A, LYS34C, MET102A, MET102C, MET169A, MET169C, MET311A, MET311C, PHE101A, PHE101C, PHE131A, PHE131C, PHE182A, PHE182C, PHE185A, PHE185C, PHE69A, PHE69C, PHE96A, PHE96C, PRO105A, PRO105C, PRO177A, PRO177C, PRO184A, PRO184C, PRO23A, PRO23C, PRO300A, PRO300C, PRO314A, PRO314C, PRO327A, PRO327C, PRO47A, PRO47C, PRO83A, PRO83C, SER133A, SER133C, SER27A, SER27C, SER302A, SER302C, SER316A, SER316C, SER36A, SER36C, SER71A, SER71C, SER81A, SER81C, THR104A, THR104C, THR11A, THR11C, THR128A, THR128C, THR165A, THR165C, THR168A, THR168C, THR291A, THR291C, THR305A, THR305C, THR322A, THR322C, THR413A, THR413C, THR45A, THR45C, THR76A, THR76C, THR77A, THR77C, THR90A, THR90C, THR97A, THR97C, THR99A, THR99C, TYR106A, TYR106C, TYR109A, TYR109C, TYR148A, TYR148C, TYR161A, TYR161C, TYR178A, TYR178C, TYR190C, TYR323A, TYR323C, TYR49A, TYR49C, VAL103A, VAL103C, VAL110A, VAL110C, VAL112A, VAL112C, VAL142A, VAL142C, VAL154A, VAL154C, VAL189A, VAL189C, VAL266A, VAL266C, VAL304A, VAL304C, VAL38A, VAL38C, VAL410A, VAL410C, VAL411A, VAL411C, VAL42A, VAL42C, VAL44A, VAL44C, VAL48A, VAL48C, VAL50A, VAL50C, VAL51A, VAL51C, VAL57A, VAL57C, VAL75A, VAL75C, VAL78A, VAL78C, VAL85A, VAL85C, VAL86A, VAL86C, VAL89A, VAL89C, VAL93A, VAL93C
• A-D: ALA153A, ALA153D, ALA186A, ALA186D, ARG146A, ARG146D, ARG150A, ARG150D, ARG151A, ARG151D, ASN187A, ASN187D, ASN224A, ASP223A, ASP223D, GLN152A, GLN152D, GLN315A, GLU188A, GLU188D, GLY183A, GLY183D, PHE185A, PHE185D, PRO184A, PRO184D, THR149A
• B-C: ALA153C, ALA186B, ALA186C, ARG146B, ARG146C, ARG150B, ARG150C, ARG151B, ARG151C, ASN187B, ASN187C, ASN224B, ASP223B, ASP223C, GLN152B, GLN152C, GLU188B, GLU188C, GLY183B, GLY183C, PHE185B, PHE185C, PRO184B, PRO184C, THR149B
• B-D: ALA113B, ALA113D, ALA129B, ALA129D, ALA135B, ALA135D, ALA137B, ALA137D, ALA145B, ALA145D, ALA147B, ALA147D, ALA153B, ALA153D, ALA170B, ALA170D, ALA186B, ALA186D, ALA226D, ALA292B, ALA292D, ALA296B, ALA296D, ALA303B, ALA303D, ALA308B, ALA308D, ALA329B, ALA329D, ALA32B, ALA32D, ALA332B, ALA332D, ALA37B, ALA37D, ALA39B, ALA39D, ALA40B, ALA40D, ALA52B, ALA52D, ALA53B, ALA53D, ALA59B, ALA59D, ALA61B, ALA61D, ALA74B, ALA74D, ALA82B, ALA82D, ALA88B, ALA88D, ALA94B, ALA94D, ALA95B, ALA95D, ARG118B, ARG127B, ARG127D, ARG146B, ARG146D, ARG150B, ARG150D, ARG151B, ARG151D, ARG164B, ARG164D, ARG33B, ARG33D, ARG422B, ARG422D, ASN117B, ASN117D, ASN132B, ASN132D, ASN140B, ASN140D, ASN166B, ASN166D, ASN175B, ASN175D, ASN187B, ASN187D, ASN326B, ASN326D, ASN80B, ASN80D, ASP312B, ASP312D, ASP60B, ASP60D, ASP68B, ASP68D, ASP87B, ASP87D, CYS100B, CYS100D, GLN152B, GLN152D, GLN176B, GLN176D, GLN267B, GLN267D, GLN315B, GLN315D, GLN31B, GLN31D, GLN35B, GLN35D, GLN91B, GLN91D, GLN92B, GLN92D, GLU107B, GLU107D, GLU114B, GLU114D, GLU125B, GLU125D, GLU136B, GLU136D, GLU139B, GLU139D, GLU188B, GLU188D, GLU236B, GLU236D, GLU29B, GLU29D, GLY108B, GLY108D, GLY134B, GLY134D, GLY163B, GLY163D, GLY181B, GLY181D, GLY183B, GLY183D, GLY294B, GLY294D, GLY297B, GLY297D, GLY298B, GLY298D, GLY306B, GLY306D, GLY313B, GLY313D, GLY317B, GLY317D, GLY318B, GLY318D, GLY320B, GLY320D, GLY321B, GLY321D, GLY324B, GLY324D, GLY325B, GLY325D, GLY41B, GLY41D, GLY43B, GLY43D, GLY54B, GLY54D, GLY70B, GLY70D, GLY72B, GLY72D, GLY79B, GLY79D, HIS115B, HIS115D, HIS180B, HIS180D, HIS405B, HIS405D, HIS98B, HIS98D, ILE144B, ILE144D, ILE26B, ILE26D, ILE295B, ILE295D, ILE310B, ILE310D, ILE73B, ILE73D, LEU116B, LEU116D, LEU12B, LEU12D, LEU130B, LEU130D, LEU167B, LEU167D, LEU288B, LEU299B, LEU299D, LEU301B, LEU301D, LEU30B, LEU30D, LEU319B, LEU319D, LEU328B, LEU328D, LEU334B, LEU334D, LEU412B, LEU412D, LEU424B, LEU46B, LEU46D, LEU58B, LEU58D, LEU66B, LEU66D, LYS111B, LYS111D, LYS126B, LYS126D, LYS143B, LYS143D, LYS179B, LYS179D, LYS293B, LYS293D, LYS34B, LYS34D, MET102B, MET102D, MET169B, MET169D, MET311B, MET311D, PHE101B, PHE101D, PHE131B, PHE131D, PHE182B, PHE182D, PHE185B, PHE185D, PHE69B, PHE69D, PHE96B, PHE96D, PRO105B, PRO105D, PRO177B, PRO177D, PRO184B, PRO184D, PRO23B, PRO23D, PRO300B, PRO300D, PRO314B, PRO314D, PRO327B, PRO327D, PRO47B, PRO47D, PRO83B, PRO83D, SER133B, SER133D, SER27B, SER27D, SER302B, SER302D, SER316B, SER316D, SER36B, SER36D, SER71B, SER71D, SER81B, SER81D, THR104B, THR104D, THR11B, THR11D, THR128B, THR128D, THR149B, THR149D, THR165B, THR165D, THR168B, THR168D, THR291B, THR291D, THR305B, THR305D, THR322B, THR322D, THR413B, THR413D, THR45B, THR45D, THR76B, THR76D, THR77B, THR77D, THR90B, THR90D, THR97B, THR97D, THR99B, THR99D, TYR106B, TYR106D, TYR109B, TYR109D, TYR148B, TYR148D, TYR161B, TYR161D, TYR178B, TYR178D, TYR323B, TYR323D, TYR49B, TYR49D, VAL103B, VAL103D, VAL110B, VAL110D, VAL112B, VAL112D, VAL142B, VAL142D, VAL154B, VAL154D, VAL189B, VAL189D, VAL266B, VAL266D, VAL304B, VAL304D, VAL38B, VAL38D, VAL410B, VAL410D, VAL411B, VAL411D, VAL42B, VAL42D, VAL44B, VAL44D, VAL48B, VAL48D, VAL50B, VAL50D, VAL51B, VAL51D, VAL57B, VAL57D, VAL75B, VAL75D, VAL78B, VAL78D, VAL85B, VAL85D, VAL86B, VAL86D, VAL89B, VAL89D, VAL93B, VAL93D
• C-D: ALA153C, ALA153D, ALA160C, ALA160D, ALA170C, ALA170D, ALA173C, ALA173D, ALA186C, ALA186D, ALA222C, ALA222D, ALA394C, ALA394D, ARG146C, ARG146D, ARG151D, ARG191C, ARG191D, ARG199C, ARG199D, ASN166C, ASN166D, ASN175C, ASN175D, ASN187C, ASN187D, ASN217C, ASN217D, ASN224C, ASN224D, ASN419C, ASN419D, ASP158C, ASP158D, ASP214C, ASP214D, ASP223C, ASP223D, GLN152C, GLN152D, GLN176C, GLN176D, GLN219C, GLN219D, GLU188C, GLU188D, GLY181C, GLY181D, GLY183C, GLY183D, GLY221C, GLY221D, GLY415C, GLY415D, GLY418C, GLY418D, HIS159C, HIS159D, HIS180C, HIS180D, HIS211C, HIS211D, ILE216C, ILE216D, LEU215C, LEU215D, LYS174C, LYS174D, LYS179C, LYS179D, LYS218C, LYS218D, MET169C, MET169D, PHE157C, PHE157D, PHE182C, PHE182D, PHE185C, PHE185D, PRO184C, PRO184D, PRO193C, PRO193D, PRO392C, PRO392D, THR172C, THR172D, THR194C, THR194D, THR416C, THR416D, TYR178C, TYR178D, TYR190C, TYR190D, TYR417C, TYR417D, VAL156C, VAL156D, VAL189C, VAL189D, VAL192C, VAL192D, VAL220C, VAL220D, VAL225C, VAL225D