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PDB code:

Information on SUBCLASS 16.1.1

Subclass Accession number: 3612 Subclass: 16.1.1 Type: EH beta-alpha DB: ArchDB95 Image coordinates: Consensus coordinates:

Number of loops: 12 Average sequence ID (%) : 64.6 +/- 22.7 Average RMSD (Å) : 0.325 +/- 0.087 Consensus geometry d (Å): 23 delta (°): 45-90 theta (°): 90-135 rho (°): 270-315

Loops included in this Subclass

Loop	PDB	Chain	Start	End	Sequence	Sec Struct	Ramachandran
1aec_*_5	1aec	-	5	40	VDWRSAGAVVDIKSQGECGGCWAFSAIATVEGINKI	EEGGGGT------B-TTSB-HHHHHHHHHHHHHHHH	bbaaaavabxppbbaeaxaaaaaaaaaaaaaaaaaa
1cqd_A_7	1cqd	A	7	42	IDWRENGAVVPVKNQGGCGSCWAFSTVAAVEGINQI	EETTTTT------B-TTSB-HHHHHHHHHHHHHHHH	bbaaaavabxpxbbaeabxaaaaaaaaaaaaaaaaa
1fh0_A_5	1fh0	A	5	40	VDWRKKGYVTPVKNQKQCGSCWAFSATGALEGQMFR	EEGGGGT------B--SS--HHHHHHHHHHHHHHHH	bbaaaavabxxxbbaexbaaaaaaaaaaaaaaaaaa
1iwd_A_5	1iwd	A	5	40	VDWRSKGAVNSIKNQKQCGSCWAFSAVAAVESINKI	EEGGGGT-S----B--SSB-HHHHHHHHHHHHHHHH	bbaaaavabxxxbbaeabxaaaaaaaaaaaaaaaaa
1khq_A_5	1khq	A	5	40	VDWRQKGAVTPVKNQGSCGSCWAFSAVVTIEGIIKI	EETTTTT------B-TTSB-HHHHHHHHHHHHHHHH	bbaaaavabxpxbbaeaxxaaaaaaaaaaaaaaaaa
1m6d_A_5	1m6d	A	5	40	WDWRSKGAVTKVKDQGMCGSCWAFSVTGNVEGQWFL	EEGGGGT------B--SSB-HHHHHHHHHHHHHHHH	bbaaaavabxxxbbaexbaaaaaaaaaaaaaaaaaa
1me4_A_4	1me4	A	5	40	VDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFL	EEGGGTT------B-TTSS-HHHHHHHHHHHHHHHH	bbaaaavabxpxbbaeaxaaaaaaaaaaaaaaaaaa
1mem_A_5	1mem	A	5	40	VDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKK	EETTTTT------B-TTS--HHHHHHHHHHHHHHHH	bbaaaavabxpxbbaeaxaaaaaaaaaaaaaaaaaa
1ms6_A_5	1ms6	A	5	40	VDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKL	EETTTTT------B-TTSB-HHHHHHHHHHHHHHHH	bbaaaavabxpxbbaeaxxaaaaaaaaaaaaaaaaa
1o0e_A_5	1o0e	A	5	40	IDWRKKGAVTPVKNQGSCGSCWAFSTVSTVESINQI	EEGGGGT------B--SSB-HHHHHHHHHHHHHHHH	bbaaaavabxppbbaeabxaaaaaaaaaaaaaaaaa
1ppo_*_5	1ppo	-	5	40	VDWRKKGAVTPVRHQGSCGSCWAFSAVATVEGINKI	EETTTTT------B--SSB-HHHHHHHHHHHHHHHH	bbaaaavabxppbbaeabaaaaaaaaaaaaaaaaaa
2act_*_5	2act	-	5	40	VDWRSAGAVVDIKSQGECGGCWAFSAIATVEGINKI	EEGGGGT------B-TTS--HHHHHHHHHHHHHHHH	bbaaaavabxppbbaeaxaaaaaaaaaaaaaaaaaa

PDB ligands within a cut-off distance of 6 Å in this subclass

Loop	PDB	Chain	Ligands	Residue
1aec_*_5	1aec	*	E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE	Q - 19
1aec_*_5	1aec	*	E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE	C - 22
1aec_*_5	1aec	*	E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE	G - 23
1aec_*_5	1aec	*	E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE	G - 24
1aec_*_5	1aec	*	E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE	C - 25
1aec_*_5	1aec	*	E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE	W - 26
1aec_*_5	1aec	*	E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE	A - 27
1cqd_A_7	1cqd	A	THJTETRATHIONATE	Q - 21
1cqd_A_7	1cqd	A	THJTETRATHIONATE	C - 24
1cqd_A_7	1cqd	A	THJTETRATHIONATE	G - 25
1cqd_A_7	1cqd	A	THJTETRATHIONATE	S - 26
1cqd_A_7	1cqd	A	THJTETRATHIONATE	C - 27
1cqd_A_7	1cqd	A	THJTETRATHIONATE	W - 28
1fh0_A_5	1fh0	A	NFP3-AMINO-5-PHENYLPENTANE	Q - 19
1fh0_A_5	1fh0	A	BNSBENZENESULFONYL	Q - 19
1fh0_A_5	1fh0	A	NFP3-AMINO-5-PHENYLPENTANE	C - 22
1fh0_A_5	1fh0	A	BNSBENZENESULFONYL	C - 22
1fh0_A_5	1fh0	A	NFP3-AMINO-5-PHENYLPENTANE	G - 23
1fh0_A_5	1fh0	A	BNSBENZENESULFONYL	G - 23
1fh0_A_5	1fh0	A	NFP3-AMINO-5-PHENYLPENTANE	S - 24
1fh0_A_5	1fh0	A	BNSBENZENESULFONYL	S - 24
1fh0_A_5	1fh0	A	NFP3-AMINO-5-PHENYLPENTANE	C - 25
1fh0_A_5	1fh0	A	BNSBENZENESULFONYL	C - 25
1fh0_A_5	1fh0	A	ODS4-METHYLPIPERAZIN-1-YL CARBONYL GROUP	W - 26
1fh0_A_5	1fh0	A	NFP3-AMINO-5-PHENYLPENTANE	W - 26
1iwd_A_5	1iwd	A	THJTETRATHIONATE	Q - 19
1iwd_A_5	1iwd	A	THJTETRATHIONATE	C - 22
1iwd_A_5	1iwd	A	THJTETRATHIONATE	G - 23
1iwd_A_5	1iwd	A	THJTETRATHIONATE	S - 24
1iwd_A_5	1iwd	A	THJTETRATHIONATE	C - 25
1iwd_A_5	1iwd	A	THJTETRATHIONATE	W - 26
1khq_A_5	1khq	A	GLM1-AMINO-PROPAN-2-ONE	Q - 19
1khq_A_5	1khq	A	GLM1-AMINO-PROPAN-2-ONE	C - 22
1khq_A_5	1khq	A	GLM1-AMINO-PROPAN-2-ONE	G - 23
1khq_A_5	1khq	A	GLM1-AMINO-PROPAN-2-ONE	S - 24
1khq_A_5	1khq	A	GLM1-AMINO-PROPAN-2-ONE	C - 25
1khq_A_5	1khq	A	GLM1-AMINO-PROPAN-2-ONE	W - 26
1m6d_A_5	1m6d	A	MYP4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE	Q - 19
1m6d_A_5	1m6d	A	MYP4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE	C - 22
1m6d_A_5	1m6d	A	MYP4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE	G - 23
1m6d_A_5	1m6d	A	MYP4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE	S - 24
1m6d_A_5	1m6d	A	MYP4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE	C - 25
1m6d_A_5	1m6d	A	MYP4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE	W - 26
1me4_A_4	1me4	A	T10[1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-2-PHENYL -ETHYL]-CARBAMIC ACID BENZYL ESTER	Q - 19
1me4_A_4	1me4	A	T10[1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-2-PHENYL -ETHYL]-CARBAMIC ACID BENZYL ESTER	G - 20
1me4_A_4	1me4	A	T10[1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-2-PHENYL -ETHYL]-CARBAMIC ACID BENZYL ESTER	Q - 21
1me4_A_4	1me4	A	T10[1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-2-PHENYL -ETHYL]-CARBAMIC ACID BENZYL ESTER	C - 22
1me4_A_4	1me4	A	T10[1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-2-PHENYL -ETHYL]-CARBAMIC ACID BENZYL ESTER	G - 23
1me4_A_4	1me4	A	T10[1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-2-PHENYL -ETHYL]-CARBAMIC ACID BENZYL ESTER	S - 24
1me4_A_4	1me4	A	T10[1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-2-PHENYL -ETHYL]-CARBAMIC ACID BENZYL ESTER	C - 25
1me4_A_4	1me4	A	T10[1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)-2-PHENYL -ETHYL]-CARBAMIC ACID BENZYL ESTER	W - 26
1mem_A_5	1mem	A	BZPN1-CARBOXYPIPERAZINE	W - 26
1ms6_A_5	1ms6	A	BLNMORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO -ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE	Q - 19
1ms6_A_5	1ms6	A	BLNMORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO -ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE	C - 22
1ms6_A_5	1ms6	A	BLNMORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO -ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE	G - 23
1ms6_A_5	1ms6	A	BLNMORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO -ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE	A - 24
1ms6_A_5	1ms6	A	BLNMORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO -ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE	C - 25
1ms6_A_5	1ms6	A	BLNMORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO -ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE	W - 26
1ppo_*_5	1ppo	*	HGMERCURY (II) ION	Q - 19
1ppo_*_5	1ppo	*	HGMERCURY (II) ION	G - 23
1ppo_*_5	1ppo	*	HGMERCURY (II) ION	S - 24
1ppo_*_5	1ppo	*	HGMERCURY (II) ION	C - 25
1ppo_*_5	1ppo	*	HGMERCURY (II) ION	W - 26
2act_*_5	2act	*	CYATWO OXYGEN ATOMS BOUND TO SG OF CYS	Q - 19
2act_*_5	2act	*	CYATWO OXYGEN ATOMS BOUND TO SG OF CYS	C - 22
2act_*_5	2act	*	CYATWO OXYGEN ATOMS BOUND TO SG OF CYS	G - 23
2act_*_5	2act	*	CYATWO OXYGEN ATOMS BOUND TO SG OF CYS	G - 24
2act_*_5	2act	*	CYATWO OXYGEN ATOMS BOUND TO SG OF CYS	C - 25
2act_*_5	2act	*	CYATWO OXYGEN ATOMS BOUND TO SG OF CYS	W - 26
2act_*_5	2act	*	CYATWO OXYGEN ATOMS BOUND TO SG OF CYS	A - 27

PDB Site Annotated loops in this subclass

Loop	PDB	Chain	Site	Residue
1cqd_A_7	1cqd	A	CAACYS 27 AND HIS 161 ARE THE CATALYTIC DIAD.	C - 27
1mem_A_5	1mem	A	CATDESCRIPTION NOT PROVIDED	C - 25

Clusters included in this Subclass

CLUSTER: EH.17.0

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